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

C16H12F2N2O2S — CID 46097037

IUPACN-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H12F2N2O2S/c1-9-14(15(22-20-9)13-3-2-4-23-13)16(21)19-8-10-5-11(17)7-12(18)6-10/h2-7H,8H2,1H3,(H,19,21)
InChIKeyXHTAJHITRBCYGJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.92
Rot. Bonds4

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

N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46097037) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46097037
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H12F2N2O2S/c1-9-14(15(22-20-9)13-3-2-4-23-13)16(21)19-8-10-5-11(17)7-12(18)6-10/h2-7H,8H2,1H3,(H,19,21)
InChIKeyXHTAJHITRBCYGJ-UHFFFAOYSA-N
XLogP3.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2522158
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-prop-2-enylbenzamide
CID 24249184
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(2-thienyl)piperazin-2-one
CID 68158201
(3S,6S)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(3-thienyl)piperazin-2-one
CID 68158560
5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 2165768
3,5-dimethyl-N-(2-thienylmethyl)-4-isoxazolecarboxamide
CID 715561
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-thienylmethyl)-4-isoxazolecarboxamide
CID 1247720
3-(2-chlorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 3245964
4-N,5-N-dibutyl-3-[(3,4-difluorophenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide
CID 24747800

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46097037) is N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is XHTAJHITRBCYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-9-14(15(22-20-9)13-3-2-4-23-13)16(21)19-8-10-5-11(17)7-12(18)6-10/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).