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

C16H13FN2O2S — CID 16866937

IUPACN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H13FN2O2S/c17-12-5-3-11(4-6-12)15-8-13(19-21-15)10-18-16(20)9-14-2-1-7-22-14/h1-8H,9-10H2,(H,18,20)
InChIKeyHOEUBOXBDWMLFW-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.40
Rot. Bonds5

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

N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 16866937) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID16866937
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H13FN2O2S/c17-12-5-3-11(4-6-12)15-8-13(19-21-15)10-18-16(20)9-14-2-1-7-22-14/h1-8H,9-10H2,(H,18,20)
InChIKeyHOEUBOXBDWMLFW-UHFFFAOYSA-N
XLogP3.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.40
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-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
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-Isopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 2745205
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3236125
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide (CID 16866937) is N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is HOEUBOXBDWMLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-12-5-3-11(4-6-12)15-8-13(19-21-15)10-18-16(20)9-14-2-1-7-22-14/h1-8H,9-10H2,(H,18,20).
What are the key properties of N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 316.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16866937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).