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

C13H14N2O2 — CID 3073021

IUPAC5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2)no1
InChIInChI=1S/C13H14N2O2/c1-9-8-12(15-17-9)13(16)14-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,16)
InChIKeyGWRNZKZNEMXLEA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.47
Rot. Bonds3

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

5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3073021) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID3073021
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2)no1
InChIInChI=1S/C13H14N2O2/c1-9-8-12(15-17-9)13(16)14-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,16)
InChIKeyGWRNZKZNEMXLEA-UHFFFAOYSA-N
XLogP2.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide (CID 3073021) is 5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccccc2)no1.
What is the InChIKey of 5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GWRNZKZNEMXLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-8-12(15-17-9)13(16)14-10(2)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,16).
What are the key properties of 5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3073021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).