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

C14H16N4O3 — CID 100758179

IUPAC(1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2noc(CNC(=O)[C@@H]3CC=CCC3)n2)no1
InChIInChI=1S/C14H16N4O3/c1-9-7-11(17-20-9)13-16-12(21-18-13)8-15-14(19)10-5-3-2-4-6-10/h2-3,7,10H,4-6,8H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyWQFRXOWHGQYXSC-SNVBAGLBSA-N
MW288.31 g/mol
LogP2.01
Rot. Bonds4

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

(1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 100758179) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is (1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID100758179
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name(1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2noc(CNC(=O)[C@@H]3CC=CCC3)n2)no1
InChIInChI=1S/C14H16N4O3/c1-9-7-11(17-20-9)13-16-12(21-18-13)8-15-14(19)10-5-3-2-4-6-10/h2-3,7,10H,4-6,8H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyWQFRXOWHGQYXSC-SNVBAGLBSA-N
XLogP2.01
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 56791232
(1S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 95628511
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91819244
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 56724145
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932127
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819179
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanecarboxamide
CID 42797708
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 122569155
(Z)-3-(2,5-difluorophenyl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91819276
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 91819251

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 100758179) is (1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide is Cc1cc(-c2noc(CNC(=O)[C@@H]3CC=CCC3)n2)no1.
What is the InChIKey of (1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is WQFRXOWHGQYXSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-7-11(17-20-9)13-16-12(21-18-13)8-15-14(19)10-5-3-2-4-6-10/h2-3,7,10H,4-6,8H2,1H3,(H,15,19)/t10-/m1/s1.
What are the key properties of (1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 100758179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).