4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole

C13H17NO — CID 66696614

IUPAC4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole
SMILESC=C(C)C1CC=C(c2ocnc2C)CC1
InChIInChI=1S/C13H17NO/c1-9(2)11-4-6-12(7-5-11)13-10(3)14-8-15-13/h6,8,11H,1,4-5,7H2,2-3H3
InChIKeyHLGZHBFKQMRSLX-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.74
Rot. Bonds2

About 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole

4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole (PubChem CID 66696614) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole
PubChem CID66696614
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole
SMILESC=C(C)C1CC=C(c2ocnc2C)CC1
InChIInChI=1S/C13H17NO/c1-9(2)11-4-6-12(7-5-11)13-10(3)14-8-15-13/h6,8,11H,1,4-5,7H2,2-3H3
InChIKeyHLGZHBFKQMRSLX-UHFFFAOYSA-N
XLogP3.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole?
The IUPAC name of 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole (CID 66696614) is 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole?
The canonical SMILES for 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole is C=C(C)C1CC=C(c2ocnc2C)CC1.
What is the InChIKey of 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole?
The InChIKey is HLGZHBFKQMRSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)11-4-6-12(7-5-11)13-10(3)14-8-15-13/h6,8,11H,1,4-5,7H2,2-3H3.
What are the key properties of 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole?
4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole has a molecular weight of 203.28 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-oxazole is sourced from PubChem (CID 66696614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).