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

C21H16FN3O2S — CID 3232271

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C21H16FN3O2S/c1-13-2-6-15(7-3-13)19-18(24-12-27-19)20(26)25-21-23-11-17(28-21)10-14-4-8-16(22)9-5-14/h2-9,11-12H,10H2,1H3,(H,23,25,26)
InChIKeyYUSTYNMWRJSQOJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.09
Rot. Bonds5

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3232271) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3232271
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C21H16FN3O2S/c1-13-2-6-15(7-3-13)19-18(24-12-27-19)20(26)25-21-23-11-17(28-21)10-14-4-8-16(22)9-5-14/h2-9,11-12H,10H2,1H3,(H,23,25,26)
InChIKeyYUSTYNMWRJSQOJ-UHFFFAOYSA-N
XLogP5.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 3232271) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YUSTYNMWRJSQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-13-2-6-15(7-3-13)19-18(24-12-27-19)20(26)25-21-23-11-17(28-21)10-14-4-8-16(22)9-5-14/h2-9,11-12H,10H2,1H3,(H,23,25,26).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).