2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C17H16FN3O2S — CID 11963375

IUPAC2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1-c1nc(C(=O)NC(C)C)cs1
InChIInChI=1S/C17H16FN3O2S/c1-9(2)19-16(22)13-8-24-17(20-13)14-10(3)23-21-15(14)11-4-6-12(18)7-5-11/h4-9H,1-3H3,(H,19,22)
InChIKeyYLHGSBXITRGBKE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.05
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 11963375) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID11963375
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1-c1nc(C(=O)NC(C)C)cs1
InChIInChI=1S/C17H16FN3O2S/c1-9(2)19-16(22)13-8-24-17(20-13)14-10(3)23-21-15(14)11-4-6-12(18)7-5-11/h4-9H,1-3H3,(H,19,22)
InChIKeyYLHGSBXITRGBKE-UHFFFAOYSA-N
XLogP4.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 11963375) is 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1-c1nc(C(=O)NC(C)C)cs1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YLHGSBXITRGBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-9(2)19-16(22)13-8-24-17(20-13)14-10(3)23-21-15(14)11-4-6-12(18)7-5-11/h4-9H,1-3H3,(H,19,22).
What are the key properties of 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11963375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).