3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide

C15H17N3O2 — CID 139019188

IUPAC3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(C2CCC(c3ccccc3)CC2)no1
InChIInChI=1S/C15H17N3O2/c16-13(19)15-17-14(18-20-15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,16,19)
InChIKeyNRQVWWNGMJTVSA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds3

About 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide

3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 139019188) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID139019188
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(C2CCC(c3ccccc3)CC2)no1
InChIInChI=1S/C15H17N3O2/c16-13(19)15-17-14(18-20-15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,16,19)
InChIKeyNRQVWWNGMJTVSA-UHFFFAOYSA-N
XLogP2.61
TPSA82.01 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;cyclopropylbenzene
CID 144638417
1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63345470
3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 146144586
(2R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 96562539
ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
CID 65401843
3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527923
cyclopropylbenzene;ethane;phenyl carbamate
CID 166076294
3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084113
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 155963728
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081706

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide (CID 139019188) is 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc(C2CCC(c3ccccc3)CC2)no1.
What is the InChIKey of 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NRQVWWNGMJTVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-13(19)15-17-14(18-20-15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,16,19).
What are the key properties of 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide?
3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 139019188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).