4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole

C10H17NO — CID 142972140

IUPAC4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C/C=C/C1=NC(C)CO1
InChIInChI=1S/C10H17NO/c1-8(2)5-4-6-10-11-9(3)7-12-10/h4,6,8-9H,5,7H2,1-3H3/b6-4+
InChIKeyQDINDQDWEHRNGD-GQCTYLIASA-N
MW167.25 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole

4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole (PubChem CID 142972140) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole
PubChem CID142972140
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C/C=C/C1=NC(C)CO1
InChIInChI=1S/C10H17NO/c1-8(2)5-4-6-10-11-9(3)7-12-10/h4,6,8-9H,5,7H2,1-3H3/b6-4+
InChIKeyQDINDQDWEHRNGD-GQCTYLIASA-N
XLogP2.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole (CID 142972140) is 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole is CC(C)C/C=C/C1=NC(C)CO1.
What is the InChIKey of 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is QDINDQDWEHRNGD-GQCTYLIASA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)5-4-6-10-11-9(3)7-12-10/h4,6,8-9H,5,7H2,1-3H3/b6-4+.
What are the key properties of 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole?
4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-4-methylpent-1-enyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142972140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).