[2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate

C29H31ClF3N3O6 — CID 175332134

IUPAC[2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate
SMILESCC(C)(C)C(C)(OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C29H31ClF3N3O6/c1-28(2,3)29(4,42-27(34)38)23-22(24(37)35-13-17-18(30)6-5-7-19(17)31)36-25(41-23)16-10-11-20(40-26(32)33)21(12-16)39-14-15-8-9-15/h5-7,10-12,15,26H,8-9,13-14H2,1-4H3,(H2,34,38)(H,35,37)
InChIKeySWDUMNICJKRYBR-UHFFFAOYSA-N
MW610.03 g/mol
LogP6.81
Rot. Bonds11

About [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate

[2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate (PubChem CID 175332134) has the molecular formula C29H31ClF3N3O6 and a molecular weight of 610.03 g/mol. Its IUPAC name is [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate
PubChem CID175332134
Molecular FormulaC29H31ClF3N3O6
Molecular Weight610.03 g/mol
Exact Mass609.19
IUPAC Name[2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate
SMILESCC(C)(C)C(C)(OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C29H31ClF3N3O6/c1-28(2,3)29(4,42-27(34)38)23-22(24(37)35-13-17-18(30)6-5-7-19(17)31)36-25(41-23)16-10-11-20(40-26(32)33)21(12-16)39-14-15-8-9-15/h5-7,10-12,15,26H,8-9,13-14H2,1-4H3,(H2,34,38)(H,35,37)
InChIKeySWDUMNICJKRYBR-UHFFFAOYSA-N
XLogP6.81
TPSA125.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.03
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-1-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate
CID 159542561
1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,6-dichlorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]ethyl carbamate
CID 174981442
5-(1-aminoethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(2,6-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 174981696
5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(2,6-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 118475903
[2-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-thiazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate
CID 174982924
[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-dichlorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate
CID 174983123
5-(1-aminoethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(3,5-dichloro-4-pyridinyl)methyl]-1,3-oxazole-4-carboxamide
CID 174982948
5-(1-aminoethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 174981278
5-(aminomethyl)-N-benzyl-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 144949461
[1-[4-carbonofluoridoyl-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate
CID 174982858
[1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(5-fluoro-2-pyridinyl)methylcarbamoyl]-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate
CID 174981438
[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-(pyridin-3-ylmethylcarbamoyl)-1,3-oxazol-5-yl]-3,3-dimethylbutyl] carbamate
CID 174982835

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate?
The IUPAC name of [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate (CID 175332134) is [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate.
What is the SMILES notation for [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate?
The canonical SMILES for [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate is CC(C)(C)C(C)(OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate?
The InChIKey is SWDUMNICJKRYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClF3N3O6/c1-28(2,3)29(4,42-27(34)38)23-22(24(37)35-13-17-18(30)6-5-7-19(17)31)36-25(41-23)16-10-11-20(40-26(32)33)21(12-16)39-14-15-8-9-15/h5-7,10-12,15,26H,8-9,13-14H2,1-4H3,(H2,34,38)(H,35,37).
What are the key properties of [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate?
[2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate has a molecular weight of 610.03 g/mol, XLogP of 6.81, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]-3,3-dimethylbutan-2-yl] carbamate is sourced from PubChem (CID 175332134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).