2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide

C22H21F2N3O4S — CID 44603249

IUPAC2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(-c2cccc(C3CC3)c2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C22H21F2N3O4S/c1-12(16-9-17(23)20(18(24)10-16)27-32(2,29)30)25-21(28)19-11-31-22(26-19)15-5-3-4-14(8-15)13-6-7-13/h3-5,8-13,27H,6-7H2,1-2H3,(H,25,28)
InChIKeyPCQJGNGGTPQUOG-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.36
Rot. Bonds7

About 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide

2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 44603249) has the molecular formula C22H21F2N3O4S and a molecular weight of 461.49 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
PubChem CID44603249
Molecular FormulaC22H21F2N3O4S
Molecular Weight461.49 g/mol
Exact Mass461.12
IUPAC Name2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(-c2cccc(C3CC3)c2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C22H21F2N3O4S/c1-12(16-9-17(23)20(18(24)10-16)27-32(2,29)30)25-21(28)19-11-31-22(26-19)15-5-3-4-14(8-15)13-6-7-13/h3-5,8-13,27H,6-7H2,1-2H3,(H,25,28)
InChIKeyPCQJGNGGTPQUOG-UHFFFAOYSA-N
XLogP4.36
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415617
2-(3-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415641
2-(4-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415668
N-[[4-[4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415681
N-[[4-[4-(3,3-difluoropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415846
N-(4-(1-(cyclopropanecarbonyl)piperidin-4-yl)phenyl)-2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamide
CID 52936954
4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]phenyl}piperidine-1-carboxylic Acid Methyl Ester
CID 52936955
trans-2-Phenyl-5-trifluoromethyloxazole-4-carboxylic acid{2-[4-(4-carbamoylmethylcyclohexyl)phenylcarbamoyl]ethyl}amide
CID 117931342
2-(3-cyclopropylphenyl)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 68324656
N-cyclohexyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 71449312
(2S)-N-[2-[[(2S)-1-(2,4-difluoroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 46878635
N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 68324560

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide (CID 44603249) is 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(-c2cccc(C3CC3)c2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PCQJGNGGTPQUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O4S/c1-12(16-9-17(23)20(18(24)10-16)27-32(2,29)30)25-21(28)19-11-31-22(26-19)15-5-3-4-14(8-15)13-6-7-13/h3-5,8-13,27H,6-7H2,1-2H3,(H,25,28).
What are the key properties of 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 44603249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).