3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide

C15H11FN2O4S — CID 146154705

IUPAC3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H11FN2O4S/c1-23(20,21)18-15(19)10-4-7-13-12(8-10)14(22-17-13)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,18,19)
InChIKeyLRHYWYIJYAHIIE-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.32
Rot. Bonds3

About 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide

3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide (PubChem CID 146154705) has the molecular formula C15H11FN2O4S and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide
PubChem CID146154705
Molecular FormulaC15H11FN2O4S
Molecular Weight334.33 g/mol
Exact Mass334.04
IUPAC Name3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H11FN2O4S/c1-23(20,21)18-15(19)10-4-7-13-12(8-10)14(22-17-13)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,18,19)
InChIKeyLRHYWYIJYAHIIE-UHFFFAOYSA-N
XLogP2.32
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350554
N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350561
N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 60545395
3-(4-methylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 17015159
N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide
CID 109468332
3-(4-methylphenyl)-N-[2-(4-methylphenyl)ethyl]-2,1-benzoxazole-5-carboxamide
CID 22575642
3-(4-fluorophenyl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-2,1-benzoxazole-5-carboxamide
CID 154806744
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 17478939
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide (CID 146154705) is 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide is CS(=O)(=O)NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is LRHYWYIJYAHIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S/c1-23(20,21)18-15(19)10-4-7-13-12(8-10)14(22-17-13)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide?
3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methylsulfonyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 146154705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).