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

C93H117Cl2F3N20O16 — CID 161030461

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

N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide (PubChem CID 161030461) has the molecular formula C93H117Cl2F3N20O16 and a molecular weight of 1898.98 g/mol. Its IUPAC name is N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
• PubChem CID: 161030461
• Molecular Formula: C93H117Cl2F3N20O16
• Molecular Weight: 1898.98 g/mol
• Exact Mass: 1896.83
• IUPAC Name: N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
• SMILES: CC(C)(NC(=O)C1CNCCOC1)c1noc2c(F)cccc12.CC(C)(NC(=O)[C@@H]1CNCCO1)c1noc2c(Cl)cccc12.CC(C)(NC(=O)[C@@H]1CNCCO1)c1noc2c(F)cccc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)nn(C)c12.Cn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2cccc(F)c21.O=C(NCc1noc2c(Cl)cccc12)C1CNCCOC1
• InChI: InChI=1S/C17H24N4O2.C16H21FN4O2.C16H20FN3O3.C15H18ClN3O3.C15H18FN3O3.C14H16ClN3O3/c1-11-6-5-7-12-14(11)21(4)20-15(12)17(2,3)19-16(22)13-10-18-8-9-23-13;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)10-8-18-6-7-22-9-10)14-11-4-3-5-12(17)13(11)23-20-14;2*1-15(2,18-14(20)11-8-17-6-7-21-11)13-9-4-3-5-10(16)12(9)22-19-13;15-11-3-1-2-10-12(18-21-13(10)11)7-17-14(19)9-6-16-4-5-20-8-9/h5-7,13,18H,8-10H2,1-4H3,(H,19,22);4-6,12,18H,7-9H2,1-3H3,(H,19,22);3-5,10,18H,6-9H2,1-2H3,(H,19,21);2*3-5,11,17H,6-8H2,1-2H3,(H,18,20);1-3,9,16H,4-8H2,(H,17,19)/t13-;12-;;2*11-;/m00.00./s1
• InChIKey: TZNWJKDHEYUXIP-MIMRUYSXSA-N
• XLogP: 8.29
• TPSA: 441.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.98
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide (CID 161030461) is N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide.

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

The canonical SMILES for N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide is CC(C)(NC(=O)C1CNCCOC1)c1noc2c(F)cccc12.CC(C)(NC(=O)[C@@H]1CNCCO1)c1noc2c(Cl)cccc12.CC(C)(NC(=O)[C@@H]1CNCCO1)c1noc2c(F)cccc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)nn(C)c12.Cn1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)c2cccc(F)c21.O=C(NCc1noc2c(Cl)cccc12)C1CNCCOC1.

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

The InChIKey is TZNWJKDHEYUXIP-MIMRUYSXSA-N. The full InChI is InChI=1S/C17H24N4O2.C16H21FN4O2.C16H20FN3O3.C15H18ClN3O3.C15H18FN3O3.C14H16ClN3O3/c1-11-6-5-7-12-14(11)21(4)20-15(12)17(2,3)19-16(22)13-10-18-8-9-23-13;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)10-8-18-6-7-22-9-10)14-11-4-3-5-12(17)13(11)23-20-14;2*1-15(2,18-14(20)11-8-17-6-7-21-11)13-9-4-3-5-10(16)12(9)22-19-13;15-11-3-1-2-10-12(18-21-13(10)11)7-17-14(19)9-6-16-4-5-20-8-9/h5-7,13,18H,8-10H2,1-4H3,(H,19,22);4-6,12,18H,7-9H2,1-3H3,(H,19,22);3-5,10,18H,6-9H2,1-2H3,(H,19,21);2*3-5,11,17H,6-8H2,1-2H3,(H,18,20);1-3,9,16H,4-8H2,(H,17,19)/t13-;12-;;2*11-;/m00.00./s1.

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

N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide has a molecular weight of 1898.98 g/mol, XLogP of 8.29, 18 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 161030461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).