2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol

C12H19NO2 — CID 69058948

IUPAC2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol
SMILESCc1oc(C=CCC(C)C)nc1CCO
InChIInChI=1S/C12H19NO2/c1-9(2)5-4-6-12-13-11(7-8-14)10(3)15-12/h4,6,9,14H,5,7-8H2,1-3H3
InChIKeyPUHVVZOVIHEPFK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.58
Rot. Bonds5

About 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol

2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol (PubChem CID 69058948) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol
PubChem CID69058948
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol
SMILESCc1oc(C=CCC(C)C)nc1CCO
InChIInChI=1S/C12H19NO2/c1-9(2)5-4-6-12-13-11(7-8-14)10(3)15-12/h4,6,9,14H,5,7-8H2,1-3H3
InChIKeyPUHVVZOVIHEPFK-UHFFFAOYSA-N
XLogP2.58
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol (CID 69058948) is 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol is Cc1oc(C=CCC(C)C)nc1CCO.
What is the InChIKey of 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is PUHVVZOVIHEPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)5-4-6-12-13-11(7-8-14)10(3)15-12/h4,6,9,14H,5,7-8H2,1-3H3.
What are the key properties of 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol?
2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 209.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 69058948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).