4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide

C15H14N4O2 — CID 71873822

IUPAC4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2oc(-c3ccccc3)nc2C)n[nH]1
InChIInChI=1S/C15H14N4O2/c1-9-8-12(19-18-9)17-14(20)13-10(2)16-15(21-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,17,18,19,20)
InChIKeyRNKJGIPJSUEZTC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.93
Rot. Bonds3

About 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide

4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 71873822) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID71873822
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2oc(-c3ccccc3)nc2C)n[nH]1
InChIInChI=1S/C15H14N4O2/c1-9-8-12(19-18-9)17-14(20)13-10(2)16-15(21-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,17,18,19,20)
InChIKeyRNKJGIPJSUEZTC-UHFFFAOYSA-N
XLogP2.93
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide (CID 71873822) is 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide is Cc1cc(NC(=O)c2oc(-c3ccccc3)nc2C)n[nH]1.
What is the InChIKey of 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is RNKJGIPJSUEZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-8-12(19-18-9)17-14(20)13-10(2)16-15(21-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71873822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).