N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide

C16H12F2N2O2S — CID 27555355

IUPACN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C16H12F2N2O2S/c17-10-3-4-13(14(18)6-10)15-7-11(20-22-15)9-19-16(21)8-12-2-1-5-23-12/h1-7H,8-9H2,(H,19,21)
InChIKeyQKXJQKHOIMPWBT-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.54
Rot. Bonds5

About N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide

N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 27555355) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID27555355
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C16H12F2N2O2S/c17-10-3-4-13(14(18)6-10)15-7-11(20-22-15)9-19-16(21)8-12-2-1-5-23-12/h1-7H,8-9H2,(H,19,21)
InChIKeyQKXJQKHOIMPWBT-UHFFFAOYSA-N
XLogP3.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-(propan-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 2745205
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191
N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 3241096
N-cyclopentyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3242425
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide (CID 27555355) is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is QKXJQKHOIMPWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c17-10-3-4-13(14(18)6-10)15-7-11(20-22-15)9-19-16(21)8-12-2-1-5-23-12/h1-7H,8-9H2,(H,19,21).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 334.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 27555355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).