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

C17H19N3O2 — CID 97414226

IUPAC(1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCc1noc(Cc2ccccc2NC(=O)[C@@H]2CC=CCC2)n1
InChIInChI=1S/C17H19N3O2/c1-12-18-16(22-20-12)11-14-9-5-6-10-15(14)19-17(21)13-7-3-2-4-8-13/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyXJQNMLATILJWQE-CYBMUJFWSA-N
MW297.36 g/mol
LogP3.26
Rot. Bonds4

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

(1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 97414226) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID97414226
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCc1noc(Cc2ccccc2NC(=O)[C@@H]2CC=CCC2)n1
InChIInChI=1S/C17H19N3O2/c1-12-18-16(22-20-12)11-14-9-5-6-10-15(14)19-17(21)13-7-3-2-4-8-13/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyXJQNMLATILJWQE-CYBMUJFWSA-N
XLogP3.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide (CID 97414226) is (1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide is Cc1noc(Cc2ccccc2NC(=O)[C@@H]2CC=CCC2)n1.
What is the InChIKey of (1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is XJQNMLATILJWQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-18-16(22-20-12)11-14-9-5-6-10-15(14)19-17(21)13-7-3-2-4-8-13/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 97414226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).