N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide

C18H22N2O2 — CID 23063364

IUPACN-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cc(Cc2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C18H22N2O2/c21-18(15-9-5-2-6-10-15)19-13-17-12-16(20-22-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,12,15H,2,5-6,9-11,13H2,(H,19,21)
InChIKeyXOSZPYFNPVTAFN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.46
Rot. Bonds5

About N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide

N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide (PubChem CID 23063364) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide
PubChem CID23063364
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1cc(Cc2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C18H22N2O2/c21-18(15-9-5-2-6-10-15)19-13-17-12-16(20-22-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,12,15H,2,5-6,9-11,13H2,(H,19,21)
InChIKeyXOSZPYFNPVTAFN-UHFFFAOYSA-N
XLogP3.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
1-(1-benzylpiperidin-4-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 56861008
N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91784738
N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride
CID 20787052
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
N-benzylpiperidine-4-carboxamide
CID 3868064

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide (CID 23063364) is N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide is O=C(NCc1cc(Cc2ccccc2)no1)C1CCCCC1.
What is the InChIKey of N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide?
The InChIKey is XOSZPYFNPVTAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(15-9-5-2-6-10-15)19-13-17-12-16(20-22-17)11-14-7-3-1-4-8-14/h1,3-4,7-8,12,15H,2,5-6,9-11,13H2,(H,19,21).
What are the key properties of N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide?
N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 23063364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).