2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C15H10F2N2O3S — CID 134019807

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H10F2N2O3S/c16-10-3-2-9(6-11(10)17)23-7-14(20)18-8-1-4-13-12(5-8)19-15(21)22-13/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeySYRKHOVPIKMJJU-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.13
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 134019807) has the molecular formula C15H10F2N2O3S and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID134019807
Molecular FormulaC15H10F2N2O3S
Molecular Weight336.32 g/mol
Exact Mass336.04
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H10F2N2O3S/c16-10-3-2-9(6-11(10)17)23-7-14(20)18-8-1-4-13-12(5-8)19-15(21)22-13/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeySYRKHOVPIKMJJU-UHFFFAOYSA-N
XLogP3.13
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
2-(3,4-difluorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7737032
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
2-(2,4-dichlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37091055
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
2,2-dimethyl-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 65302361
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 134019807) is 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is O=C(CSc1ccc(F)c(F)c1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is SYRKHOVPIKMJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3S/c16-10-3-2-9(6-11(10)17)23-7-14(20)18-8-1-4-13-12(5-8)19-15(21)22-13/h1-6H,7H2,(H,18,20)(H,19,21).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 336.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 134019807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).