1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide

C12H15N3O2 — CID 103939777

IUPAC1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccno2)CCCCC1
InChIInChI=1S/C12H15N3O2/c13-9-12(5-2-1-3-6-12)11(16)14-8-10-4-7-15-17-10/h4,7H,1-3,5-6,8H2,(H,14,16)
InChIKeyUCVXEPIULCUJJF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.76
Rot. Bonds3

About 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide

1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 103939777) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
PubChem CID103939777
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccno2)CCCCC1
InChIInChI=1S/C12H15N3O2/c13-9-12(5-2-1-3-6-12)11(16)14-8-10-4-7-15-17-10/h4,7H,1-3,5-6,8H2,(H,14,16)
InChIKeyUCVXEPIULCUJJF-UHFFFAOYSA-N
XLogP1.76
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 106421900
1-cyano-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114110948
1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 106416951
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 104579035
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104579075
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
4-methyl-N-(1,2-oxazol-5-ylmethyl)piperidine-4-carboxamide
CID 106416927
1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 113253187

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide (CID 103939777) is 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)NCc2ccno2)CCCCC1.
What is the InChIKey of 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is UCVXEPIULCUJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-9-12(5-2-1-3-6-12)11(16)14-8-10-4-7-15-17-10/h4,7H,1-3,5-6,8H2,(H,14,16).
What are the key properties of 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide?
1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103939777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).