N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide

C17H22N2O2 — CID 118754022

IUPACN-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(CC(C)c2ccccc2)no1
InChIInChI=1S/C17H22N2O2/c1-3-4-10-18-17(20)16-12-15(19-21-16)11-13(2)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)
InChIKeyJLBQVAFKBBWVHT-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.55
Rot. Bonds7

About N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide

N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 118754022) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID118754022
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(CC(C)c2ccccc2)no1
InChIInChI=1S/C17H22N2O2/c1-3-4-10-18-17(20)16-12-15(19-21-16)11-13(2)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)
InChIKeyJLBQVAFKBBWVHT-UHFFFAOYSA-N
XLogP3.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide (CID 118754022) is N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide is CCCCNC(=O)c1cc(CC(C)c2ccccc2)no1.
What is the InChIKey of N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is JLBQVAFKBBWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-4-10-18-17(20)16-12-15(19-21-16)11-13(2)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide?
N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118754022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).