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

C18H16N2O2 — CID 110681408

IUPACN-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H16N2O2/c1-13-6-5-7-14(10-13)11-19-17(21)16-12-20-18(22-16)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyHXGUNXSJSMATFG-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.58
Rot. Bonds4

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

N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 110681408) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID110681408
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H16N2O2/c1-13-6-5-7-14(10-13)11-19-17(21)16-12-20-18(22-16)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyHXGUNXSJSMATFG-UHFFFAOYSA-N
XLogP3.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681416
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681429
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 82110940
N-[(3-methylphenyl)methyl]-5-nitrofuran-2-carboxamide
CID 34164755
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
5-methyl-2-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 122175359
5-methyl-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392803
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
N-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide (CID 110681408) is N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide is Cc1cccc(CNC(=O)c2cnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is HXGUNXSJSMATFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-6-5-7-14(10-13)11-19-17(21)16-12-20-18(22-16)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide?
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110681408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).