N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide

C10H13N3O2 — CID 47045402

IUPACN-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide
SMILESCc1noc(NC(=O)C2CC=CCC2)n1
InChIInChI=1S/C10H13N3O2/c1-7-11-10(15-13-7)12-9(14)8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,11,12,13,14)
InChIKeyVQIFGCFISWZCGP-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.67
Rot. Bonds2

About N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide

N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 47045402) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide
PubChem CID47045402
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide
SMILESCc1noc(NC(=O)C2CC=CCC2)n1
InChIInChI=1S/C10H13N3O2/c1-7-11-10(15-13-7)12-9(14)8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,11,12,13,14)
InChIKeyVQIFGCFISWZCGP-UHFFFAOYSA-N
XLogP1.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 51474501
(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
CID 104874178
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
N-(5-methyl-2-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 42891852
(5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129488970
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94208001
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 90543695
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932127
(1R)-N-(1,3,4-thiadiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 29369502

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide (CID 47045402) is N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide is Cc1noc(NC(=O)C2CC=CCC2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is VQIFGCFISWZCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-11-10(15-13-7)12-9(14)8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,11,12,13,14).
What are the key properties of N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide?
N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 47045402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).