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

C21H18N4O2 — CID 1253408

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23,26)
InChIKeySHTZGSLWYNSLDZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.15
Rot. Bonds5

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

N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 1253408) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID1253408
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23,26)
InChIKeySHTZGSLWYNSLDZ-UHFFFAOYSA-N
XLogP4.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 1253408) is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is SHTZGSLWYNSLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23,26).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1253408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).