N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide

C22H22N2O2 — CID 15090685

IUPACN-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-21(23-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)24-22(26-20)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,23,25)
InChIKeyBHUFEFMVOIFTRO-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.07
Rot. Bonds4

About N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide

N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide (PubChem CID 15090685) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide
PubChem CID15090685
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-21(23-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)24-22(26-20)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,23,25)
InChIKeyBHUFEFMVOIFTRO-UHFFFAOYSA-N
XLogP5.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431707
N-cyclopentyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431706
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
CID 10150172
N-cyclooctyl-3-phenylfuran-2-carboxamide
CID 35163513
N-cyclohexyl-3-phenylfuran-2-carboxamide
CID 46521947
N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide
CID 25010438
N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110649225
N-cyclohexyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110647492
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide (CID 15090685) is N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide is O=C(NC1CCCCC1)c1oc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide?
The InChIKey is BHUFEFMVOIFTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-21(23-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)24-22(26-20)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,23,25).
What are the key properties of N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide?
N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 15090685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).