2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C18H25NO — CID 13433192

IUPAC2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESC=CCc1c(CCCC)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C18H25NO/c1-5-7-10-14-11-8-12-16(15(14)9-6-2)17-19-18(3,4)13-20-17/h6,8,11-12H,2,5,7,9-10,13H2,1,3-4H3
InChIKeyHFWIFRLYNLCSLS-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.31
Rot. Bonds6

About 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 13433192) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID13433192
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESC=CCc1c(CCCC)cccc1C1=NC(C)(C)CO1
InChIInChI=1S/C18H25NO/c1-5-7-10-14-11-8-12-16(15(14)9-6-2)17-19-18(3,4)13-20-17/h6,8,11-12H,2,5,7,9-10,13H2,1,3-4H3
InChIKeyHFWIFRLYNLCSLS-UHFFFAOYSA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-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

Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-2-oxazoline
CID 244030
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
4-Isopropyl-2-(1-naphthyl)-2-oxazoline
CID 9547837
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
1,3-Bis((r)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 24761720
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
Mls002667700
CID 244135
1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
CID 395337
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 13433192) is 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole is C=CCc1c(CCCC)cccc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is HFWIFRLYNLCSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-7-10-14-11-8-12-16(15(14)9-6-2)17-19-18(3,4)13-20-17/h6,8,11-12H,2,5,7,9-10,13H2,1,3-4H3.
What are the key properties of 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 271.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2-prop-2-enylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 13433192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).