[1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate

C36H43F4N5O7 — CID 175997527

About [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate

[1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate (PubChem CID 175997527) has the molecular formula C36H43F4N5O7 and a molecular weight of 733.76 g/mol. Its IUPAC name is [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate.

Molecular Properties

• Compound Name: [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate
• PubChem CID: 175997527
• Molecular Formula: C36H43F4N5O7
• Molecular Weight: 733.76 g/mol
• Exact Mass: 733.31
• IUPAC Name: [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate
• SMILES: CN(C(=O)c1cccc(C(=O)NCc2nc(-c3ccc(OC(F)F)c(OCC4CC4)c3)oc2C(CC(C)(C)C)OC(N)=O)n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C36H43F4N5O7/c1-35(2,3)17-28(51-34(41)48)29-25(44-31(52-29)21-10-11-26(50-33(37)38)27(16-21)49-19-20-8-9-20)18-42-30(46)23-6-5-7-24(43-23)32(47)45(4)22-12-14-36(39,40)15-13-22/h5-7,10-11,16,20,22,28,33H,8-9,12-15,17-19H2,1-4H3,(H2,41,48)(H,42,46)
• InChIKey: RZXHNJYNXBKCEY-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 159.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.76
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate?

The IUPAC name of [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate (CID 175997527) is [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate.

What is the SMILES notation for [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate?

The canonical SMILES for [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate is CN(C(=O)c1cccc(C(=O)NCc2nc(-c3ccc(OC(F)F)c(OCC4CC4)c3)oc2C(CC(C)(C)C)OC(N)=O)n1)C1CCC(F)(F)CC1.

What is the InChIKey of [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate?

The InChIKey is RZXHNJYNXBKCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43F4N5O7/c1-35(2,3)17-28(51-34(41)48)29-25(44-31(52-29)21-10-11-26(50-33(37)38)27(16-21)49-19-20-8-9-20)18-42-30(46)23-6-5-7-24(43-23)32(47)45(4)22-12-14-36(39,40)15-13-22/h5-7,10-11,16,20,22,28,33H,8-9,12-15,17-19H2,1-4H3,(H2,41,48)(H,42,46).

What are the key properties of [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate?

[1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate has a molecular weight of 733.76 g/mol, XLogP of 7.28, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[[6-[(4,4-difluorocyclohexyl)-methylcarbamoyl]pyridine-2-carbonyl]amino]methyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate is sourced from PubChem (CID 175997527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).