4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole

C15H21NO — CID 170382647

IUPAC4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole
SMILESC/C(=C\C=C/C(C)C)c1nc(C2CC2)c(C)o1
InChIInChI=1S/C15H21NO/c1-10(2)6-5-7-11(3)15-16-14(12(4)17-15)13-8-9-13/h5-7,10,13H,8-9H2,1-4H3/b6-5-,11-7+
InChIKeyRTGRSSIKSVKBPT-GNLLZQBYSA-N
MW231.34 g/mol
LogP4.48
Rot. Bonds4

About 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole

4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole (PubChem CID 170382647) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole
PubChem CID170382647
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole
SMILESC/C(=C\C=C/C(C)C)c1nc(C2CC2)c(C)o1
InChIInChI=1S/C15H21NO/c1-10(2)6-5-7-11(3)15-16-14(12(4)17-15)13-8-9-13/h5-7,10,13H,8-9H2,1-4H3/b6-5-,11-7+
InChIKeyRTGRSSIKSVKBPT-GNLLZQBYSA-N
XLogP4.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole?
The IUPAC name of 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole (CID 170382647) is 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole.
What is the SMILES notation for 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole?
The canonical SMILES for 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole is C/C(=C\C=C/C(C)C)c1nc(C2CC2)c(C)o1.
What is the InChIKey of 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole?
The InChIKey is RTGRSSIKSVKBPT-GNLLZQBYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)6-5-7-11(3)15-16-14(12(4)17-15)13-8-9-13/h5-7,10,13H,8-9H2,1-4H3/b6-5-,11-7+.
What are the key properties of 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole?
4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-2-yl]-1,3-oxazole is sourced from PubChem (CID 170382647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).