N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide

C23H23N3O3 — CID 68606925

IUPACN-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1
InChIInChI=1S/C23H23N3O3/c27-22(24-19-10-6-17(7-11-19)16-4-2-1-3-5-16)18-8-12-20(13-9-18)25-23(28)21-14-15-29-26-21/h1-7,10-11,14-15,18,20H,8-9,12-13H2,(H,24,27)(H,25,28)
InChIKeyMNARXDIEJURKNW-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.27
Rot. Bonds5

About N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide

N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 68606925) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID68606925
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1
InChIInChI=1S/C23H23N3O3/c27-22(24-19-10-6-17(7-11-19)16-4-2-1-3-5-16)18-8-12-20(13-9-18)25-23(28)21-14-15-29-26-21/h1-7,10-11,14-15,18,20H,8-9,12-13H2,(H,24,27)(H,25,28)
InChIKeyMNARXDIEJURKNW-UHFFFAOYSA-N
XLogP4.27
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide (CID 68606925) is N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1.
What is the InChIKey of N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MNARXDIEJURKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(24-19-10-6-17(7-11-19)16-4-2-1-3-5-16)18-8-12-20(13-9-18)25-23(28)21-14-15-29-26-21/h1-7,10-11,14-15,18,20H,8-9,12-13H2,(H,24,27)(H,25,28).
What are the key properties of N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide?
N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-phenylphenyl)carbamoyl]cyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 68606925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).