N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide

C29H28N2O3 — CID 91801281

IUPACN-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1nc(-c2ccccc2)oc1Cc1ccc(O)cc1
InChIInChI=1S/C29H28N2O3/c32-25-17-11-20(12-18-25)19-26-27(31-29(34-26)23-9-5-2-6-10-23)28(33)30-24-15-13-22(14-16-24)21-7-3-1-4-8-21/h2,5-6,9-18,21,32H,1,3-4,7-8,19H2,(H,30,33)
InChIKeyZYQITDPSHDNTQB-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.94
Rot. Bonds6

About N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide

N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 91801281) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID91801281
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC NameN-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1nc(-c2ccccc2)oc1Cc1ccc(O)cc1
InChIInChI=1S/C29H28N2O3/c32-25-17-11-20(12-18-25)19-26-27(31-29(34-26)23-9-5-2-6-10-23)28(33)30-24-15-13-22(14-16-24)21-7-3-1-4-8-21/h2,5-6,9-18,21,32H,1,3-4,7-8,19H2,(H,30,33)
InChIKeyZYQITDPSHDNTQB-UHFFFAOYSA-N
XLogP6.94
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 91801281) is N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)c1nc(-c2ccccc2)oc1Cc1ccc(O)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is ZYQITDPSHDNTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3/c32-25-17-11-20(12-18-25)19-26-27(31-29(34-26)23-9-5-2-6-10-23)28(33)30-24-15-13-22(14-16-24)21-7-3-1-4-8-21/h2,5-6,9-18,21,32H,1,3-4,7-8,19H2,(H,30,33).
What are the key properties of N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 6.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-5-[(4-hydroxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 91801281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).