4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one

C13H15NO2 — CID 134938588

IUPAC4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one
SMILESCC(C)Cc1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C13H15NO2/c1-9(2)8-11-12(14-16-13(11)15)10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3
InChIKeySXJVWOLSRNMSFC-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.83
Rot. Bonds3

About 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one

4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 134938588) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID134938588
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one
SMILESCC(C)Cc1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C13H15NO2/c1-9(2)8-11-12(14-16-13(11)15)10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3
InChIKeySXJVWOLSRNMSFC-UHFFFAOYSA-N
XLogP2.83
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one (CID 134938588) is 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one is CC(C)Cc1c(-c2ccccc2)[nH]oc1=O.
What is the InChIKey of 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is SXJVWOLSRNMSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)8-11-12(14-16-13(11)15)10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one?
4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 217.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 134938588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).