N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H18N2O4S — CID 31883285

IUPACN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H18N2O4S/c1-13(14-8-10-16(11-9-14)26(2,23)24)20-19(22)17-12-18(25-21-17)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyWMSCNWRXXADTBV-ZDUSSCGKSA-N
MW370.43 g/mol
LogP3.24
Rot. Bonds5

About N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 31883285) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID31883285
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H18N2O4S/c1-13(14-8-10-16(11-9-14)26(2,23)24)20-19(22)17-12-18(25-21-17)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyWMSCNWRXXADTBV-ZDUSSCGKSA-N
XLogP3.24
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 17478939
6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024948
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 60568808
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
5-(4-methylphenyl)-N-[1-(1-methylpyridin-1-ium-4-yl)ethyl]-1,2-oxazole-3-carboxamide iodide
CID 163408659
N-[1-(4-methylsulfonylphenyl)ethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55433250
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41475071
1-tert-butyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47046888
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 125447012
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 31883285) is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is WMSCNWRXXADTBV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13(14-8-10-16(11-9-14)26(2,23)24)20-19(22)17-12-18(25-21-17)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 31883285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).