5-butyl-4-phenyl-3H-1,3-oxazol-2-one

C13H15NO2 — CID 134909162

IUPAC5-butyl-4-phenyl-3H-1,3-oxazol-2-one
SMILESCCCCc1oc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-3-9-11-12(14-13(15)16-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,15)
InChIKeyCXXWALBMVLFFRS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.98
Rot. Bonds4

About 5-butyl-4-phenyl-3H-1,3-oxazol-2-one

5-butyl-4-phenyl-3H-1,3-oxazol-2-one (PubChem CID 134909162) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-butyl-4-phenyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-butyl-4-phenyl-3H-1,3-oxazol-2-one
PubChem CID134909162
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-butyl-4-phenyl-3H-1,3-oxazol-2-one
SMILESCCCCc1oc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-3-9-11-12(14-13(15)16-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,15)
InChIKeyCXXWALBMVLFFRS-UHFFFAOYSA-N
XLogP2.98
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Diphenyl-4-oxazolin-2-one
CID 151245
4-Oxazolin-2-one, 4-phenyl-
CID 118669
Fluzoperine
CID 219072
3-Benzyl-4,5-dimethyl-1,3-oxazol-2-one
CID 11830516
methyl N-(1-phenylethenyl)carbamate
CID 11636910
Tert-butyl (1-phenylvinyl)carbamate
CID 24881759
Benzyloxazolone
CID 53761601
methyl 3-[4-(4-fluorophenyl)-2-oxo-3H-1,3-oxazol-5-yl]propanoate
CID 21088768
4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
CID 21119784
Methyl 3-[2-oxo-4-(4-trifluoromethylphenyl)-4-oxazolin-5-yl]propionate
CID 23431800
4-(3,4-difluorophenyl)-3H-1,3-oxazol-2-one
CID 54313405
4-(3,4-difluorophenyl)-5-hydroxy-3H-1,3-oxazol-2-one
CID 57185792

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-phenyl-3H-1,3-oxazol-2-one?
The IUPAC name of 5-butyl-4-phenyl-3H-1,3-oxazol-2-one (CID 134909162) is 5-butyl-4-phenyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-butyl-4-phenyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-butyl-4-phenyl-3H-1,3-oxazol-2-one is CCCCc1oc(=O)[nH]c1-c1ccccc1.
What is the InChIKey of 5-butyl-4-phenyl-3H-1,3-oxazol-2-one?
The InChIKey is CXXWALBMVLFFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-9-11-12(14-13(15)16-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,15).
What are the key properties of 5-butyl-4-phenyl-3H-1,3-oxazol-2-one?
5-butyl-4-phenyl-3H-1,3-oxazol-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-phenyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 134909162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).