3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

C118H156F2N22O18 — CID 158006432

IUPAC3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
SMILESCC(C)(CC(=O)C1CCNCCO1)c1noc2c(F)cccc12.CC(C)(NC(=O)C1CNCCCO1)c1noc2c(F)cccc12.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2CNCCOC2)n1.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)noc12
InChIInChI=1S/C19H25N3O2.C17H21FN2O3.C17H24N4O2.C17H23N3O3.C16H20FN3O3.C16H22N4O2.C16H21N3O3/c1-13-10-14-6-4-5-7-16(14)17(21-13)19(2,3)22-18(23)15-11-20-8-9-24-12-15;1-17(2,10-13(21)14-6-7-19-8-9-22-14)16-11-4-3-5-12(18)15(11)23-20-16;1-11-5-4-6-13-14(11)20-21-15(13)17(2,3)19-16(22)12-9-18-7-8-23-10-12;1-11-5-4-6-13-14(11)23-20-15(13)17(2,3)19-16(21)12-9-18-7-8-22-10-12;1-16(2,19-15(21)12-9-18-7-4-8-22-12)14-10-5-3-6-11(17)13(10)23-20-14;1-10-5-4-6-11-13(10)19-20-14(11)16(2,3)18-15(21)12-9-17-7-8-22-12;1-10-5-4-6-11-13(10)22-19-14(11)16(2,3)18-15(20)12-9-17-7-8-21-12/h4-7,10,15,20H,8-9,11-12H2,1-3H3,(H,22,23);3-5,14,19H,6-10H2,1-2H3;4-6,12,18H,7-10H2,1-3H3,(H,19,22)(H,20,21);4-6,12,18H,7-10H2,1-3H3,(H,19,21);3,5-6,12,18H,4,7-9H2,1-2H3,(H,19,21);4-6,12,17H,7-9H2,1-3H3,(H,18,21)(H,19,20);4-6,12,17H,7-9H2,1-3H3,(H,18,20)/t;;;;;2*12-/m.....00/s1
InChIKeyFEIQBYIWPCSKJG-FPBBLZDCSA-N
MW2208.68 g/mol
LogP12.28
Rot. Bonds22

About 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (PubChem CID 158006432) has the molecular formula C118H156F2N22O18 and a molecular weight of 2208.68 g/mol. Its IUPAC name is 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.

Molecular Properties

Compound Name3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
PubChem CID158006432
Molecular FormulaC118H156F2N22O18
Molecular Weight2208.68 g/mol
Exact Mass2207.19
IUPAC Name3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
SMILESCC(C)(CC(=O)C1CCNCCO1)c1noc2c(F)cccc12.CC(C)(NC(=O)C1CNCCCO1)c1noc2c(F)cccc12.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2CNCCOC2)n1.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)noc12
InChIInChI=1S/C19H25N3O2.C17H21FN2O3.C17H24N4O2.C17H23N3O3.C16H20FN3O3.C16H22N4O2.C16H21N3O3/c1-13-10-14-6-4-5-7-16(14)17(21-13)19(2,3)22-18(23)15-11-20-8-9-24-12-15;1-17(2,10-13(21)14-6-7-19-8-9-22-14)16-11-4-3-5-12(18)15(11)23-20-16;1-11-5-4-6-13-14(11)20-21-15(13)17(2,3)19-16(22)12-9-18-7-8-23-10-12;1-11-5-4-6-13-14(11)23-20-15(13)17(2,3)19-16(21)12-9-18-7-8-22-10-12;1-16(2,19-15(21)12-9-18-7-4-8-22-12)14-10-5-3-6-11(17)13(10)23-20-14;1-10-5-4-6-11-13(10)19-20-14(11)16(2,3)18-15(21)12-9-17-7-8-22-12;1-10-5-4-6-11-13(10)22-19-14(11)16(2,3)18-15(20)12-9-17-7-8-21-12/h4-7,10,15,20H,8-9,11-12H2,1-3H3,(H,22,23);3-5,14,19H,6-10H2,1-2H3;4-6,12,18H,7-10H2,1-3H3,(H,19,22)(H,20,21);4-6,12,18H,7-10H2,1-3H3,(H,19,21);3,5-6,12,18H,4,7-9H2,1-2H3,(H,19,21);4-6,12,17H,7-9H2,1-3H3,(H,18,21)(H,19,20);4-6,12,17H,7-9H2,1-3H3,(H,18,20)/t;;;;;2*12-/m.....00/s1
InChIKeyFEIQBYIWPCSKJG-FPBBLZDCSA-N
XLogP12.28
TPSA514.86 Ų
H-Bond Donors15
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms160
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002208.68
LogP ≤ 512.28
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1032

Analyze 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The IUPAC name of 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (CID 158006432) is 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.
What is the SMILES notation for 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The canonical SMILES for 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is CC(C)(CC(=O)C1CCNCCO1)c1noc2c(F)cccc12.CC(C)(NC(=O)C1CNCCCO1)c1noc2c(F)cccc12.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2CNCCOC2)n1.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)noc12.
What is the InChIKey of 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The InChIKey is FEIQBYIWPCSKJG-FPBBLZDCSA-N. The full InChI is InChI=1S/C19H25N3O2.C17H21FN2O3.C17H24N4O2.C17H23N3O3.C16H20FN3O3.C16H22N4O2.C16H21N3O3/c1-13-10-14-6-4-5-7-16(14)17(21-13)19(2,3)22-18(23)15-11-20-8-9-24-12-15;1-17(2,10-13(21)14-6-7-19-8-9-22-14)16-11-4-3-5-12(18)15(11)23-20-16;1-11-5-4-6-13-14(11)20-21-15(13)17(2,3)19-16(22)12-9-18-7-8-23-10-12;1-11-5-4-6-13-14(11)23-20-15(13)17(2,3)19-16(21)12-9-18-7-8-22-10-12;1-16(2,19-15(21)12-9-18-7-4-8-22-12)14-10-5-3-6-11(17)13(10)23-20-14;1-10-5-4-6-11-13(10)19-20-14(11)16(2,3)18-15(21)12-9-17-7-8-22-12;1-10-5-4-6-11-13(10)22-19-14(11)16(2,3)18-15(20)12-9-17-7-8-21-12/h4-7,10,15,20H,8-9,11-12H2,1-3H3,(H,22,23);3-5,14,19H,6-10H2,1-2H3;4-6,12,18H,7-10H2,1-3H3,(H,19,22)(H,20,21);4-6,12,18H,7-10H2,1-3H3,(H,19,21);3,5-6,12,18H,4,7-9H2,1-2H3,(H,19,21);4-6,12,17H,7-9H2,1-3H3,(H,18,21)(H,19,20);4-6,12,17H,7-9H2,1-3H3,(H,18,20)/t;;;;;2*12-/m.....00/s1.
What are the key properties of 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide has a molecular weight of 2208.68 g/mol, XLogP of 12.28, 22 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is sourced from PubChem (CID 158006432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).