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

C108H141N17O14 — CID 158954555

IUPAC(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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one
SMILESCc1cc2ccccc2c(C(C)(C)CC(=O)C2CCNCCO2)n1.Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2CNCCO2)n1.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)noc12.Cc1ncc(C(C)(C)NC(=O)C2CNCCOC2)c2ccccc12.Cc1ncc(C(C)(C)NC(=O)[C@H]2CNCCO2)c2ccccc12
InChIInChI=1S/C20H26N2O2.C19H25N3O2.2C18H23N3O2.C17H23N3O3.C16H21N3O3/c1-14-12-15-6-4-5-7-16(15)19(22-14)20(2,3)13-17(23)18-8-9-21-10-11-24-18;1-13-15-6-4-5-7-16(15)17(11-21-13)19(2,3)22-18(23)14-10-20-8-9-24-12-14;1-12-13-6-4-5-7-14(13)15(10-20-12)18(2,3)21-17(22)16-11-19-8-9-23-16;1-12-10-13-6-4-5-7-14(13)16(20-12)18(2,3)21-17(22)15-11-19-8-9-23-15;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;1-10-5-4-6-11-13(10)22-19-14(11)16(2,3)18-15(20)12-9-17-7-8-21-12/h4-7,12,18,21H,8-11,13H2,1-3H3;4-7,11,14,20H,8-10,12H2,1-3H3,(H,22,23);4-7,10,16,19H,8-9,11H2,1-3H3,(H,21,22);4-7,10,15,19H,8-9,11H2,1-3H3,(H,21,22);4-6,12,18H,7-10H2,1-3H3,(H,19,21);4-6,12,17H,7-9H2,1-3H3,(H,18,20)/t;;16-;15-;;12-/m..10.0/s1
InChIKeyJLVOTZNPTFEUCJ-XZXZSSRASA-N
MW1901.42 g/mol
LogP12.25
Rot. Bonds19

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

(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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one (PubChem CID 158954555) has the molecular formula C108H141N17O14 and a molecular weight of 1901.42 g/mol. Its IUPAC name is (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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one.

Molecular Properties

Compound Name(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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one
PubChem CID158954555
Molecular FormulaC108H141N17O14
Molecular Weight1901.42 g/mol
Exact Mass1900.08
IUPAC Name(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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one
SMILESCc1cc2ccccc2c(C(C)(C)CC(=O)C2CCNCCO2)n1.Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2CNCCO2)n1.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)noc12.Cc1ncc(C(C)(C)NC(=O)C2CNCCOC2)c2ccccc12.Cc1ncc(C(C)(C)NC(=O)[C@H]2CNCCO2)c2ccccc12
InChIInChI=1S/C20H26N2O2.C19H25N3O2.2C18H23N3O2.C17H23N3O3.C16H21N3O3/c1-14-12-15-6-4-5-7-16(15)19(22-14)20(2,3)13-17(23)18-8-9-21-10-11-24-18;1-13-15-6-4-5-7-16(15)17(11-21-13)19(2,3)22-18(23)14-10-20-8-9-24-12-14;1-12-13-6-4-5-7-14(13)15(10-20-12)18(2,3)21-17(22)16-11-19-8-9-23-16;1-12-10-13-6-4-5-7-14(13)16(20-12)18(2,3)21-17(22)15-11-19-8-9-23-15;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;1-10-5-4-6-11-13(10)22-19-14(11)16(2,3)18-15(20)12-9-17-7-8-21-12/h4-7,12,18,21H,8-11,13H2,1-3H3;4-7,11,14,20H,8-10,12H2,1-3H3,(H,22,23);4-7,10,16,19H,8-9,11H2,1-3H3,(H,21,22);4-7,10,15,19H,8-9,11H2,1-3H3,(H,21,22);4-6,12,18H,7-10H2,1-3H3,(H,19,21);4-6,12,17H,7-9H2,1-3H3,(H,18,20)/t;;16-;15-;;12-/m..10.0/s1
InChIKeyJLVOTZNPTFEUCJ-XZXZSSRASA-N
XLogP12.25
TPSA393.75 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001901.42
LogP ≤ 512.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

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

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Frequently Asked Questions

What is the IUPAC name of (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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one?
The IUPAC name of (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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one (CID 158954555) is (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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one.
What is the SMILES notation for (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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one?
The canonical SMILES for (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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one is Cc1cc2ccccc2c(C(C)(C)CC(=O)C2CCNCCO2)n1.Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2CNCCO2)n1.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)noc12.Cc1ncc(C(C)(C)NC(=O)C2CNCCOC2)c2ccccc12.Cc1ncc(C(C)(C)NC(=O)[C@H]2CNCCO2)c2ccccc12.
What is the InChIKey of (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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one?
The InChIKey is JLVOTZNPTFEUCJ-XZXZSSRASA-N. The full InChI is InChI=1S/C20H26N2O2.C19H25N3O2.2C18H23N3O2.C17H23N3O3.C16H21N3O3/c1-14-12-15-6-4-5-7-16(15)19(22-14)20(2,3)13-17(23)18-8-9-21-10-11-24-18;1-13-15-6-4-5-7-16(15)17(11-21-13)19(2,3)22-18(23)14-10-20-8-9-24-12-14;1-12-13-6-4-5-7-14(13)15(10-20-12)18(2,3)21-17(22)16-11-19-8-9-23-16;1-12-10-13-6-4-5-7-14(13)16(20-12)18(2,3)21-17(22)15-11-19-8-9-23-15;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;1-10-5-4-6-11-13(10)22-19-14(11)16(2,3)18-15(20)12-9-17-7-8-21-12/h4-7,12,18,21H,8-11,13H2,1-3H3;4-7,11,14,20H,8-10,12H2,1-3H3,(H,22,23);4-7,10,16,19H,8-9,11H2,1-3H3,(H,21,22);4-7,10,15,19H,8-9,11H2,1-3H3,(H,21,22);4-6,12,18H,7-10H2,1-3H3,(H,19,21);4-6,12,17H,7-9H2,1-3H3,(H,18,20)/t;;16-;15-;;12-/m..10.0/s1.
What are the key properties of (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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one?
(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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one has a molecular weight of 1901.42 g/mol, XLogP of 12.25, 19 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (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;(2R)-N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(1-methylisoquinolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;3-methyl-3-(3-methylisoquinolin-1-yl)-1-(1,4-oxazepan-7-yl)butan-1-one is sourced from PubChem (CID 158954555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).