(2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

C82H108ClF3N18O12 — CID 158213960

About (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

(2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (PubChem CID 158213960) has the molecular formula C82H108ClF3N18O12 and a molecular weight of 1630.33 g/mol. Its IUPAC name is (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
• PubChem CID: 158213960
• Molecular Formula: C82H108ClF3N18O12
• Molecular Weight: 1630.33 g/mol
• Exact Mass: 1628.80
• IUPAC Name: (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
• SMILES: CC(C)(NC(=O)C1CNCCCO1)c1noc2c(F)cccc12.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cn1nc(C(C)(C)NC(=O)C2CNCCOC2)c2cccc(F)c21.Cn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2cccc(Cl)c21.Cn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2cccc(F)c21
• InChI: InChI=1S/C17H23FN4O2.C17H23N3O3.C16H21ClN4O2.C16H21FN4O2.C16H20FN3O3/c1-17(2,20-16(23)11-9-19-7-8-24-10-11)15-12-5-4-6-13(18)14(12)22(3)21-15;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;2*1-16(2,19-15(22)12-9-18-7-8-23-12)14-10-5-4-6-11(17)13(10)21(3)20-14;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/h4-6,11,19H,7-10H2,1-3H3,(H,20,23);4-6,12,18H,7-10H2,1-3H3,(H,19,21);2*4-6,12,18H,7-9H2,1-3H3,(H,19,22);3,5-6,12,18H,4,7-9H2,1-2H3,(H,19,21)/t;;2*12-;/m..00./s1
• InChIKey: GCKKJFPTCFIYMQ-JDMWKVRNSA-N
• XLogP: 7.34
• TPSA: 357.32 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1630.33
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?

The IUPAC name of (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (CID 158213960) is (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.

What is the SMILES notation for (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?

The canonical SMILES for (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is CC(C)(NC(=O)C1CNCCCO1)c1noc2c(F)cccc12.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cn1nc(C(C)(C)NC(=O)C2CNCCOC2)c2cccc(F)c21.Cn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2cccc(Cl)c21.Cn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2cccc(F)c21.

What is the InChIKey of (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?

The InChIKey is GCKKJFPTCFIYMQ-JDMWKVRNSA-N. The full InChI is InChI=1S/C17H23FN4O2.C17H23N3O3.C16H21ClN4O2.C16H21FN4O2.C16H20FN3O3/c1-17(2,20-16(23)11-9-19-7-8-24-10-11)15-12-5-4-6-13(18)14(12)22(3)21-15;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;2*1-16(2,19-15(22)12-9-18-7-8-23-12)14-10-5-4-6-11(17)13(10)21(3)20-14;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/h4-6,11,19H,7-10H2,1-3H3,(H,20,23);4-6,12,18H,7-10H2,1-3H3,(H,19,21);2*4-6,12,18H,7-9H2,1-3H3,(H,19,22);3,5-6,12,18H,4,7-9H2,1-2H3,(H,19,21)/t;;2*12-;/m..00./s1.

What are the key properties of (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?

(2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide has a molecular weight of 1630.33 g/mol, XLogP of 7.34, 15 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is sourced from PubChem (CID 158213960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).