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

C15H11FN2O2S — CID 3236697

IUPACN-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H11FN2O2S/c16-11-5-3-10(4-6-11)9-17-15(19)12-8-13(20-18-12)14-2-1-7-21-14/h1-8H,9H2,(H,17,19)
InChIKeyZSKYAXVDOQTLFD-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.47
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3236697) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3236697
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC NameN-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H11FN2O2S/c16-11-5-3-10(4-6-11)9-17-15(19)12-8-13(20-18-12)14-2-1-7-21-14/h1-8H,9H2,(H,17,19)
InChIKeyZSKYAXVDOQTLFD-UHFFFAOYSA-N
XLogP3.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.47
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
4-{[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 3242386
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 6465157
5-(3-methoxyphenyl)-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 16188597
N-[3-carbamoyl-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 996494
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
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3236125

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3236697) is N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ZSKYAXVDOQTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-5-3-10(4-6-11)9-17-15(19)12-8-13(20-18-12)14-2-1-7-21-14/h1-8H,9H2,(H,17,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).