N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide

C19H27N3O2 — CID 54770047

IUPACN,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H27N3O2/c1-3-5-10-14-22(15-11-6-4-2)19(23)18-20-17(21-24-18)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
InChIKeyHIPHOFADNGEPRN-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.56
Rot. Bonds10

About N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide

N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 54770047) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID54770047
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H27N3O2/c1-3-5-10-14-22(15-11-6-4-2)19(23)18-20-17(21-24-18)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
InChIKeyHIPHOFADNGEPRN-UHFFFAOYSA-N
XLogP4.56
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide (CID 54770047) is N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide is CCCCCN(CCCCC)C(=O)c1nc(-c2ccccc2)no1.
What is the InChIKey of N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HIPHOFADNGEPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-5-10-14-22(15-11-6-4-2)19(23)18-20-17(21-24-18)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3.
What are the key properties of N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentyl-3-phenyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 54770047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).