N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide

C25H26N4O4 — CID 118608772

IUPACN-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(c2nnc(CO)o2)CC1)C1=CC(c2ccccc2)(c2ccccc2)ON1
InChIInChI=1S/C25H26N4O4/c30-16-22-27-28-24(32-22)17-11-13-20(14-12-17)26-23(31)21-15-25(33-29-21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15,17,20,29-30H,11-14,16H2,(H,26,31)
InChIKeyRZAUERYNIUVTCY-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.07
Rot. Bonds6

About N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide

N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide (PubChem CID 118608772) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide
PubChem CID118608772
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(c2nnc(CO)o2)CC1)C1=CC(c2ccccc2)(c2ccccc2)ON1
InChIInChI=1S/C25H26N4O4/c30-16-22-27-28-24(32-22)17-11-13-20(14-12-17)26-23(31)21-15-25(33-29-21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15,17,20,29-30H,11-14,16H2,(H,26,31)
InChIKeyRZAUERYNIUVTCY-UHFFFAOYSA-N
XLogP3.07
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide (CID 118608772) is N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide is O=C(NC1CCC(c2nnc(CO)o2)CC1)C1=CC(c2ccccc2)(c2ccccc2)ON1.
What is the InChIKey of N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide?
The InChIKey is RZAUERYNIUVTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-16-22-27-28-24(32-22)17-11-13-20(14-12-17)26-23(31)21-15-25(33-29-21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15,17,20,29-30H,11-14,16H2,(H,26,31).
What are the key properties of N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide?
N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]-5,5-diphenyl-2H-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).