N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide

C15H18N2O2 — CID 110689389

IUPACN-pentyl-4-phenyl-1,3-oxazole-5-carboxamide
SMILESCCCCCNC(=O)c1ocnc1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-2-3-7-10-16-15(18)14-13(17-11-19-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,18)
InChIKeyJEIJXOQKTAMNEP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.26
Rot. Bonds6

About N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide

N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 110689389) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-pentyl-4-phenyl-1,3-oxazole-5-carboxamide
PubChem CID110689389
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-pentyl-4-phenyl-1,3-oxazole-5-carboxamide
SMILESCCCCCNC(=O)c1ocnc1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-2-3-7-10-16-15(18)14-13(17-11-19-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,18)
InChIKeyJEIJXOQKTAMNEP-UHFFFAOYSA-N
XLogP3.26
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide (CID 110689389) is N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide is CCCCCNC(=O)c1ocnc1-c1ccccc1.
What is the InChIKey of N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is JEIJXOQKTAMNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-3-7-10-16-15(18)14-13(17-11-19-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,18).
What are the key properties of N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide?
N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110689389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).