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

C20H14FN3O2S — CID 55638814

IUPAC5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(-c4ccccc4F)on3)cc2)cs1
InChIInChI=1S/C20H14FN3O2S/c1-12-22-18(11-27-12)13-6-8-14(9-7-13)23-20(25)17-10-19(26-24-17)15-4-2-3-5-16(15)21/h2-11H,1H3,(H,23,25)
InChIKeyFFLQPLURHDFFOQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.16
Rot. Bonds4

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

5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 55638814) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID55638814
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(-c4ccccc4F)on3)cc2)cs1
InChIInChI=1S/C20H14FN3O2S/c1-12-22-18(11-27-12)13-6-8-14(9-7-13)23-20(25)17-10-19(26-24-17)15-4-2-3-5-16(15)21/h2-11H,1H3,(H,23,25)
InChIKeyFFLQPLURHDFFOQ-UHFFFAOYSA-N
XLogP5.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24532559
5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 122286600
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37342518
2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533912
5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534184
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 18090488
5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46969057
2,4,5-trifluoro-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286618
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619296

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide (CID 55638814) is 5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide is Cc1nc(-c2ccc(NC(=O)c3cc(-c4ccccc4F)on3)cc2)cs1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FFLQPLURHDFFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-12-22-18(11-27-12)13-6-8-14(9-7-13)23-20(25)17-10-19(26-24-17)15-4-2-3-5-16(15)21/h2-11H,1H3,(H,23,25).
What are the key properties of 5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide?
5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55638814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).