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

C15H12FN3O2S — CID 46969057

IUPAC5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)no1
InChIInChI=1S/C15H12FN3O2S/c1-2-9-7-12(19-21-9)14(20)18-15-17-13(8-22-15)10-5-3-4-6-11(10)16/h3-8H,2H2,1H3,(H,17,18,20)
InChIKeyDVROLCJVJQUMTR-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.75
Rot. Bonds4

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

5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46969057) has the molecular formula C15H12FN3O2S and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID46969057
Molecular FormulaC15H12FN3O2S
Molecular Weight317.34 g/mol
Exact Mass317.06
IUPAC Name5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)no1
InChIInChI=1S/C15H12FN3O2S/c1-2-9-7-12(19-21-9)14(20)18-15-17-13(8-22-15)10-5-3-4-6-11(10)16/h3-8H,2H2,1H3,(H,17,18,20)
InChIKeyDVROLCJVJQUMTR-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 60551770
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87043271
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 162691696
5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638814
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 90626352
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide
CID 71889087

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 46969057) is 5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)no1.
What is the InChIKey of 5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is DVROLCJVJQUMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-2-9-7-12(19-21-9)14(20)18-15-17-13(8-22-15)10-5-3-4-6-11(10)16/h3-8H,2H2,1H3,(H,17,18,20).
What are the key properties of 5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46969057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).