N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide

C25H32N2O2 — CID 56962223

IUPACN-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c28-25(23-17-24(29-26-23)20-11-12-20)27(21-9-5-2-6-10-21)22-15-13-19(14-16-22)18-7-3-1-4-8-18/h1,3-4,7-8,17,19-22H,2,5-6,9-16H2
InChIKeyBLWOQOPWKYTDRK-UHFFFAOYSA-N
MW392.54 g/mol
LogP6.05
Rot. Bonds5

About N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide

N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide (PubChem CID 56962223) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
PubChem CID56962223
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c28-25(23-17-24(29-26-23)20-11-12-20)27(21-9-5-2-6-10-21)22-15-13-19(14-16-22)18-7-3-1-4-8-18/h1,3-4,7-8,17,19-22H,2,5-6,9-16H2
InChIKeyBLWOQOPWKYTDRK-UHFFFAOYSA-N
XLogP6.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide (CID 56962223) is N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide is O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BLWOQOPWKYTDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c28-25(23-17-24(29-26-23)20-11-12-20)27(21-9-5-2-6-10-21)22-15-13-19(14-16-22)18-7-3-1-4-8-18/h1,3-4,7-8,17,19-22H,2,5-6,9-16H2.
What are the key properties of N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56962223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).