N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide

C18H24N4O2 — CID 164617158

IUPACN-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCCCCC1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H24N4O2/c23-16(19-11-8-14-22-12-6-1-2-7-13-22)18-21-20-17(24-18)15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14H2,(H,19,23)
InChIKeyPOIYNHAMVYTVCW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.73
Rot. Bonds6

About N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide

N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 164617158) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID164617158
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCCCCC1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H24N4O2/c23-16(19-11-8-14-22-12-6-1-2-7-13-22)18-21-20-17(24-18)15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14H2,(H,19,23)
InChIKeyPOIYNHAMVYTVCW-UHFFFAOYSA-N
XLogP2.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 164617158) is N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide is O=C(NCCCN1CCCCCC1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is POIYNHAMVYTVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-16(19-11-8-14-22-12-6-1-2-7-13-22)18-21-20-17(24-18)15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14H2,(H,19,23).
What are the key properties of N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 164617158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).