5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide

C21H18F2N2O3 — CID 98293867

IUPAC5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C21H18F2N2O3/c1-12-6-5-9-15(27-21(22)23)16(12)24-19(26)17-18(13-10-11-13)28-20(25-17)14-7-3-2-4-8-14/h2-9,13,21H,10-11H2,1H3,(H,24,26)
InChIKeyXPMSSJNHYQKOBC-UHFFFAOYSA-N
MW384.38 g/mol
LogP5.38
Rot. Bonds6

About 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 98293867) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID98293867
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC Name5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C21H18F2N2O3/c1-12-6-5-9-15(27-21(22)23)16(12)24-19(26)17-18(13-10-11-13)28-20(25-17)14-7-3-2-4-8-14/h2-9,13,21H,10-11H2,1H3,(H,24,26)
InChIKeyXPMSSJNHYQKOBC-UHFFFAOYSA-N
XLogP5.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.38
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide 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

5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841160
N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840936
5-cyclopropyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86963414
5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840963
N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841134
N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 111426071
5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841042
N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841240
5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86881894
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
CID 99621538
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86903484

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 98293867) is 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide is Cc1cccc(OC(F)F)c1NC(=O)c1nc(-c2ccccc2)oc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is XPMSSJNHYQKOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3/c1-12-6-5-9-15(27-21(22)23)16(12)24-19(26)17-18(13-10-11-13)28-20(25-17)14-7-3-2-4-8-14/h2-9,13,21H,10-11H2,1H3,(H,24,26).
What are the key properties of 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(difluoromethoxy)-6-methylphenyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 98293867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).