N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide

C15H17N3O2 — CID 3667318

IUPACN-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)C1CCCCC1
InChIInChI=1S/C15H17N3O2/c19-13(11-7-3-1-4-8-11)16-15-18-17-14(20-15)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,16,18,19)
InChIKeyTXIXNRAXVPEMMU-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds3

About N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide

N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 3667318) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide
PubChem CID3667318
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)C1CCCCC1
InChIInChI=1S/C15H17N3O2/c19-13(11-7-3-1-4-8-11)16-15-18-17-14(20-15)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,16,18,19)
InChIKeyTXIXNRAXVPEMMU-UHFFFAOYSA-N
XLogP3.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide (CID 3667318) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1nnc(-c2ccccc2)o1)C1CCCCC1.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is TXIXNRAXVPEMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-13(11-7-3-1-4-8-11)16-15-18-17-14(20-15)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,16,18,19).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 271.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3667318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).