5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C22H20N4O2 — CID 126842404

IUPAC5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCc3ccccc3)c2)c1
InChIInChI=1S/C22H20N4O2/c1-16-6-5-9-18(12-16)21-20(23-15-28-21)22(27)25-19-13-24-26(14-19)11-10-17-7-3-2-4-8-17/h2-9,12-15H,10-11H2,1H3,(H,25,27)
InChIKeyTZTIOVGIXVZPRW-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.34
Rot. Bonds6

About 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 126842404) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID126842404
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCc3ccccc3)c2)c1
InChIInChI=1S/C22H20N4O2/c1-16-6-5-9-18(12-16)21-20(23-15-28-21)22(27)25-19-13-24-26(14-19)11-10-17-7-3-2-4-8-17/h2-9,12-15H,10-11H2,1H3,(H,25,27)
InChIKeyTZTIOVGIXVZPRW-UHFFFAOYSA-N
XLogP4.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 126842404) is 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCc3ccccc3)c2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is TZTIOVGIXVZPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-16-6-5-9-18(12-16)21-20(23-15-28-21)22(27)25-19-13-24-26(14-19)11-10-17-7-3-2-4-8-17/h2-9,12-15H,10-11H2,1H3,(H,25,27).
What are the key properties of 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).