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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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).