5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

C19H14N4O2S — CID 3232277

IUPAC5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ncc(-c3cccnc3)s2)cc1
InChIInChI=1S/C19H14N4O2S/c1-12-4-6-13(7-5-12)17-16(22-11-25-17)18(24)23-19-21-10-15(26-19)14-3-2-8-20-9-14/h2-11H,1H3,(H,21,23,24)
InChIKeyJDPBYPCNTAASEF-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.42
Rot. Bonds4

About 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide

5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3232277) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID3232277
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ncc(-c3cccnc3)s2)cc1
InChIInChI=1S/C19H14N4O2S/c1-12-4-6-13(7-5-12)17-16(22-11-25-17)18(24)23-19-21-10-15(26-19)14-3-2-8-20-9-14/h2-11H,1H3,(H,21,23,24)
InChIKeyJDPBYPCNTAASEF-UHFFFAOYSA-N
XLogP4.42
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (CID 3232277) is 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)Nc2ncc(-c3cccnc3)s2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is JDPBYPCNTAASEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-12-4-6-13(7-5-12)17-16(22-11-25-17)18(24)23-19-21-10-15(26-19)14-3-2-8-20-9-14/h2-11H,1H3,(H,21,23,24).
What are the key properties of 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).