3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide

C16H12ClFN2O2S — CID 1247720

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccs1
InChIInChI=1S/C16H12ClFN2O2S/c1-9-13(16(21)19-8-10-4-3-7-23-10)15(20-22-9)14-11(17)5-2-6-12(14)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyIVPNWBGGWKSMFF-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.43
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 1247720) has the molecular formula C16H12ClFN2O2S and a molecular weight of 350.80 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID1247720
Molecular FormulaC16H12ClFN2O2S
Molecular Weight350.80 g/mol
Exact Mass350.03
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccs1
InChIInChI=1S/C16H12ClFN2O2S/c1-9-13(16(21)19-8-10-4-3-7-23-10)15(20-22-9)14-11(17)5-2-6-12(14)18/h2-7H,8H2,1H3,(H,19,21)
InChIKeyIVPNWBGGWKSMFF-UHFFFAOYSA-N
XLogP4.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-yl](1,4-thiazinan-4-yl)methanone
CID 2804980
N4-[4-(propylsulfonyl)-3-thienyl]-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide
CID 2819905
3-(2-chloro-6-fluorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 2374581
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2055744
N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 769448
5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 2165768
3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-isoxazolecarboxamide
CID 649757
3-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-4-isoxazolecarboxamide
CID 1245581
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 1245722
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-oxothiolan-3-yl)-1,2-oxazole-4-carboxamide
CID 2820385
3-(2-chloro-6-fluorophenyl)-5-methyl-N-{[(2-oxotetrahydro-3-thienyl)amino]carbonothioyl}-4-isoxazolecarboxamide
CID 2930388

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 1247720) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccs1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is IVPNWBGGWKSMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2S/c1-9-13(16(21)19-8-10-4-3-7-23-10)15(20-22-9)14-11(17)5-2-6-12(14)18/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 350.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1247720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).