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

C15H12FN3O2S — CID 51081125

IUPAC3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1csc(CNC(=O)c2cc(-c3cccc(F)c3)no2)n1
InChIInChI=1S/C15H12FN3O2S/c1-9-8-22-14(18-9)7-17-15(20)13-6-12(19-21-13)10-3-2-4-11(16)5-10/h2-6,8H,7H2,1H3,(H,17,20)
InChIKeySGQUAPHHRBLBRF-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.18
Rot. Bonds4

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

3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 51081125) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID51081125
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1csc(CNC(=O)c2cc(-c3cccc(F)c3)no2)n1
InChIInChI=1S/C15H12FN3O2S/c1-9-8-22-14(18-9)7-17-15(20)13-6-12(19-21-13)10-3-2-4-11(16)5-10/h2-6,8H,7H2,1H3,(H,17,20)
InChIKeySGQUAPHHRBLBRF-UHFFFAOYSA-N
XLogP3.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 43068966
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 30176535
2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 54915790
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
N-(2-tert-butylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068926
3-(3-fluorophenyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 46474047
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068883
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110474815
N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46472289
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46975857
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide (CID 51081125) is 3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is Cc1csc(CNC(=O)c2cc(-c3cccc(F)c3)no2)n1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is SGQUAPHHRBLBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-9-8-22-14(18-9)7-17-15(20)13-6-12(19-21-13)10-3-2-4-11(16)5-10/h2-6,8H,7H2,1H3,(H,17,20).
What are the key properties of 3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51081125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).