4-butyl-5-phenyl-1,3-oxazole

C13H15NO — CID 119082964

IUPAC4-butyl-5-phenyl-1,3-oxazole
SMILESCCCCc1ncoc1-c1ccccc1
InChIInChI=1S/C13H15NO/c1-2-3-9-12-13(15-10-14-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKeyIAGWHGCDTBLSJI-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.68
Rot. Bonds4

About 4-butyl-5-phenyl-1,3-oxazole

4-butyl-5-phenyl-1,3-oxazole (PubChem CID 119082964) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-butyl-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-butyl-5-phenyl-1,3-oxazole
PubChem CID119082964
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-butyl-5-phenyl-1,3-oxazole
SMILESCCCCc1ncoc1-c1ccccc1
InChIInChI=1S/C13H15NO/c1-2-3-9-12-13(15-10-14-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKeyIAGWHGCDTBLSJI-UHFFFAOYSA-N
XLogP3.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butyl-5-phenyl-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-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole
CID 58157922
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 79145650
[5-(4-butoxyphenyl)-1,3-oxazol-4-yl]methanamine
CID 79139143
5-(4-butoxyphenyl)-4-(chloromethyl)-1,3-oxazole
CID 79153679
4-tert-butyl-5-phenyl-1,3-oxazole
CID 23542020
2,3-dibutylquinoxaline
CID 14641798
4-methylsulfanyl-5-phenyl-1,3-oxazole
CID 12724679
1-(4-butyl-1,3-oxazol-5-yl)ethanone
CID 134232369
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
1-[(5-phenyl-1,3-oxazol-4-yl)methyl]cyclopropane-1-sulfonamide
CID 22499310
3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride
CID 119788971
N,N-diethyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689253

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-phenyl-1,3-oxazole?
The IUPAC name of 4-butyl-5-phenyl-1,3-oxazole (CID 119082964) is 4-butyl-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-butyl-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-butyl-5-phenyl-1,3-oxazole is CCCCc1ncoc1-c1ccccc1.
What is the InChIKey of 4-butyl-5-phenyl-1,3-oxazole?
The InChIKey is IAGWHGCDTBLSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-3-9-12-13(15-10-14-12)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 4-butyl-5-phenyl-1,3-oxazole?
4-butyl-5-phenyl-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-phenyl-1,3-oxazole is sourced from PubChem (CID 119082964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).