2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole

C22H34N2O2 — CID 138570617

IUPAC2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole
SMILESC/C(=C\Cc1cc(C(C)C)on1)CCC(C)c1cnc(CCC(C)C)o1
InChIInChI=1S/C22H34N2O2/c1-15(2)7-12-22-23-14-21(25-22)18(6)10-8-17(5)9-11-19-13-20(16(3)4)26-24-19/h9,13-16,18H,7-8,10-12H2,1-6H3/b17-9+
InChIKeyKUUNAKMDJAOZEU-RQZCQDPDSA-N
MW358.53 g/mol
LogP6.45
Rot. Bonds10

About 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole

2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole (PubChem CID 138570617) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole
PubChem CID138570617
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole
SMILESC/C(=C\Cc1cc(C(C)C)on1)CCC(C)c1cnc(CCC(C)C)o1
InChIInChI=1S/C22H34N2O2/c1-15(2)7-12-22-23-14-21(25-22)18(6)10-8-17(5)9-11-19-13-20(16(3)4)26-24-19/h9,13-16,18H,7-8,10-12H2,1-6H3/b17-9+
InChIKeyKUUNAKMDJAOZEU-RQZCQDPDSA-N
XLogP6.45
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-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 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole?
The IUPAC name of 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole (CID 138570617) is 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole?
The canonical SMILES for 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole is C/C(=C\Cc1cc(C(C)C)on1)CCC(C)c1cnc(CCC(C)C)o1.
What is the InChIKey of 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole?
The InChIKey is KUUNAKMDJAOZEU-RQZCQDPDSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15(2)7-12-22-23-14-21(25-22)18(6)10-8-17(5)9-11-19-13-20(16(3)4)26-24-19/h9,13-16,18H,7-8,10-12H2,1-6H3/b17-9+.
What are the key properties of 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole?
2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole has a molecular weight of 358.53 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-5-[(E)-5-methyl-7-(5-propan-2-yl-1,2-oxazol-3-yl)hept-5-en-2-yl]-1,3-oxazole is sourced from PubChem (CID 138570617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).