N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide

C22H22N2O2 — CID 25010438

IUPACN-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H22N2O2/c25-20(17-12-6-2-7-13-17)24-22-19(16-10-4-1-5-11-16)23-21(26-22)18-14-8-3-9-15-18/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2,(H,24,25)
InChIKeyMFPFSYJIJJPYBT-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.53
Rot. Bonds4

About N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide

N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide (PubChem CID 25010438) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide
PubChem CID25010438
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H22N2O2/c25-20(17-12-6-2-7-13-17)24-22-19(16-10-4-1-5-11-16)23-21(26-22)18-14-8-3-9-15-18/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2,(H,24,25)
InChIKeyMFPFSYJIJJPYBT-UHFFFAOYSA-N
XLogP5.53
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 ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide (CID 25010438) is N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide is O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)C1CCCCC1.
What is the InChIKey of N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide?
The InChIKey is MFPFSYJIJJPYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-20(17-12-6-2-7-13-17)24-22-19(16-10-4-1-5-11-16)23-21(26-22)18-14-8-3-9-15-18/h1,3-5,8-11,14-15,17H,2,6-7,12-13H2,(H,24,25).
What are the key properties of N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide?
N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide has a molecular weight of 346.43 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 25010438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).