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

C15H11F2N3O2S — CID 8839149

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C15H11F2N3O2S/c1-7-13(8(2)22-20-7)14(21)19-15-18-12(6-23-15)10-5-9(16)3-4-11(10)17/h3-6H,1-2H3,(H,18,19,21)
InChIKeyABVVNKYDFZIZPC-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.95
Rot. Bonds3

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

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 8839149) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID8839149
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C15H11F2N3O2S/c1-7-13(8(2)22-20-7)14(21)19-15-18-12(6-23-15)10-5-9(16)3-4-11(10)17/h3-6H,1-2H3,(H,18,19,21)
InChIKeyABVVNKYDFZIZPC-UHFFFAOYSA-N
XLogP3.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 8839149) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ABVVNKYDFZIZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c1-7-13(8(2)22-20-7)14(21)19-15-18-12(6-23-15)10-5-9(16)3-4-11(10)17/h3-6H,1-2H3,(H,18,19,21).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8839149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).