N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

C17H16N2O4S — CID 60545395

IUPACN-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C17H16N2O4S/c1-24(21,22)10-9-18-17(20)13-7-8-15-14(11-13)16(23-19-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeyKRGWUUNOIYOEJR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.27
Rot. Bonds5

About N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide

N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 60545395) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID60545395
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C17H16N2O4S/c1-24(21,22)10-9-18-17(20)13-7-8-15-14(11-13)16(23-19-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeyKRGWUUNOIYOEJR-UHFFFAOYSA-N
XLogP2.27
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
3-phenyl-N-(3-phenylprop-2-ynyl)-2,1-benzoxazole-5-carboxamide
CID 24615547
N-(2,2-difluoro-3-hydroxypropyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 86796098
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide
CID 22575642
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 17478939
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide
CID 22575656
3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide
CID 146154705
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 41463565
3-phenyl-N'-(thiophene-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
CID 9318764

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 60545395) is N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is CS(=O)(=O)CCNC(=O)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is KRGWUUNOIYOEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-24(21,22)10-9-18-17(20)13-7-8-15-14(11-13)16(23-19-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,20).
What are the key properties of N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 60545395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).