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

C16H14FN3O3S — CID 8511739

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1F
InChIInChI=1S/C16H14FN3O3S/c1-8-14(9(2)23-20-8)15(21)19-16-18-12(7-24-16)10-4-5-13(22-3)11(17)6-10/h4-7H,1-3H3,(H,18,19,21)
InChIKeyRNCZJPYBKXAIGJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.81
Rot. Bonds4

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

N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 8511739) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID8511739
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1F
InChIInChI=1S/C16H14FN3O3S/c1-8-14(9(2)23-20-8)15(21)19-16-18-12(7-24-16)10-4-5-13(22-3)11(17)6-10/h4-7H,1-3H3,(H,18,19,21)
InChIKeyRNCZJPYBKXAIGJ-UHFFFAOYSA-N
XLogP3.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1164446
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649132
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649216
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7948233
Methyl 4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-1,3-thiazole-5-carboxylate
CID 1225785
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2089563
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2114663
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 2318971
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649214
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8839149
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9142272
3-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-4-isoxazolecarboxamide
CID 17249905

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 8511739) is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is RNCZJPYBKXAIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-8-14(9(2)23-20-8)15(21)19-16-18-12(7-24-16)10-4-5-13(22-3)11(17)6-10/h4-7H,1-3H3,(H,18,19,21).
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8511739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).