3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

C19H13FN4O2S — CID 176858449

IUPAC3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H13FN4O2S/c1-11-16(17(24-26-11)12-5-4-6-13(20)9-12)18(25)23-19-22-15(10-27-19)14-7-2-3-8-21-14/h2-10H,1H3,(H,22,23,25)
InChIKeyNSAMCBOAUSRHDY-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.56
Rot. Bonds4

About 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 176858449) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID176858449
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC Name3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H13FN4O2S/c1-11-16(17(24-26-11)12-5-4-6-13(20)9-12)18(25)23-19-22-15(10-27-19)14-7-2-3-8-21-14/h2-10H,1H3,(H,22,23,25)
InChIKeyNSAMCBOAUSRHDY-UHFFFAOYSA-N
XLogP4.56
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 176859822
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
5-methyl-3-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 2122558
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2127353
5-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 31153107
4-(4-fluorophenyl)-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 176859167
N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805851
4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176858699
2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 17427879
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 153338918
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 39097245

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 176858449) is 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is NSAMCBOAUSRHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c1-11-16(17(24-26-11)12-5-4-6-13(20)9-12)18(25)23-19-22-15(10-27-19)14-7-2-3-8-21-14/h2-10H,1H3,(H,22,23,25).
What are the key properties of 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 176858449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).