N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C18H27N3O2 — CID 70678400

IUPACN,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(c1noc(C2CC2)n1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H27N3O2/c22-18(16-19-17(23-20-16)13-11-12-13)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2
InChIKeyOTOWSRVXMAFDSS-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.05
Rot. Bonds4

About N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 70678400) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID70678400
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(c1noc(C2CC2)n1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H27N3O2/c22-18(16-19-17(23-20-16)13-11-12-13)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2
InChIKeyOTOWSRVXMAFDSS-UHFFFAOYSA-N
XLogP4.05
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 70678400) is N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is O=C(c1noc(C2CC2)n1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OTOWSRVXMAFDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(16-19-17(23-20-16)13-11-12-13)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2.
What are the key properties of N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 70678400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).