2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide

C15H13FN2O3S — CID 167967418

IUPAC2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)oc3ccc(F)cc32)s1
InChIInChI=1S/C15H13FN2O3S/c1-9-2-4-11(22-9)7-17-14(19)8-18-12-6-10(16)3-5-13(12)21-15(18)20/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyLNOABHNPKSVHET-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.42
Rot. Bonds4

About 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 167967418) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID167967418
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)oc3ccc(F)cc32)s1
InChIInChI=1S/C15H13FN2O3S/c1-9-2-4-11(22-9)7-17-14(19)8-18-12-6-10(16)3-5-13(12)21-15(18)20/h2-6H,7-8H2,1H3,(H,17,19)
InChIKeyLNOABHNPKSVHET-UHFFFAOYSA-N
XLogP2.42
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrolidine-1,2-dicarboxylic acid 1-[(2-methoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219706
2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-propylacetamide
CID 3669812
US10226452, Example 44
CID 118513796
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9439280
N-(4-Fluoro-phenyl)-2-(2-oxo-benzooxazol-3-yl)-acetamide
CID 977608
N-(3,4-difluorophenyl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 4139727
N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
CID 1081529
N~2~-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-N~1~-(thien-2-ylmethyl)methioninamide
CID 16195434
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 26623169
3-(2-oxobenzo[d]oxazol-3(2H)-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 767665
2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 4230089
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5230767

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 167967418) is 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(=O)oc3ccc(F)cc32)s1.
What is the InChIKey of 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is LNOABHNPKSVHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c1-9-2-4-11(22-9)7-17-14(19)8-18-12-6-10(16)3-5-13(12)21-15(18)20/h2-6H,7-8H2,1H3,(H,17,19).
What are the key properties of 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 320.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 167967418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).