5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide

C19H18N2O2 — CID 2862071

IUPAC5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-13(15-9-5-3-6-10-15)20-19(22)17-14(2)23-21-18(17)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,20,22)
InChIKeyKEINQZGOECMNBB-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.14
Rot. Bonds4

About 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 2862071) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
PubChem CID2862071
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-13(15-9-5-3-6-10-15)20-19(22)17-14(2)23-21-18(17)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,20,22)
InChIKeyKEINQZGOECMNBB-UHFFFAOYSA-N
XLogP4.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide (CID 2862071) is 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is KEINQZGOECMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(15-9-5-3-6-10-15)20-19(22)17-14(2)23-21-18(17)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,20,22).
What are the key properties of 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2862071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).