N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide

C20H28N2O2 — CID 54770485

IUPACN,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C20H28N2O2/c1-3-5-10-14-22(15-11-6-4-2)20(23)19-16-18(21-24-19)17-12-8-7-9-13-17/h7-9,12-13,16H,3-6,10-11,14-15H2,1-2H3
InChIKeyBIKKIFJQWFNADP-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.16
Rot. Bonds10

About N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide

N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 54770485) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID54770485
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C20H28N2O2/c1-3-5-10-14-22(15-11-6-4-2)20(23)19-16-18(21-24-19)17-12-8-7-9-13-17/h7-9,12-13,16H,3-6,10-11,14-15H2,1-2H3
InChIKeyBIKKIFJQWFNADP-UHFFFAOYSA-N
XLogP5.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
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,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide (CID 54770485) is N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide is CCCCCN(CCCCC)C(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is BIKKIFJQWFNADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-5-10-14-22(15-11-6-4-2)20(23)19-16-18(21-24-19)17-12-8-7-9-13-17/h7-9,12-13,16H,3-6,10-11,14-15H2,1-2H3.
What are the key properties of N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide?
N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentyl-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 54770485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).