2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole

C19H21NO — CID 11514657

IUPAC2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
SMILESCC(C)C1C=C(c2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C19H21NO/c1-15(2)18-13-19(17-11-7-4-8-12-17)21-20(18)14-16-9-5-3-6-10-16/h3-13,15,18H,14H2,1-2H3
InChIKeyQYHSLFVZACYQJB-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.50
Rot. Bonds4

About 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole

2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole (PubChem CID 11514657) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
PubChem CID11514657
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
SMILESCC(C)C1C=C(c2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C19H21NO/c1-15(2)18-13-19(17-11-7-4-8-12-17)21-20(18)14-16-9-5-3-6-10-16/h3-13,15,18H,14H2,1-2H3
InChIKeyQYHSLFVZACYQJB-UHFFFAOYSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole?
The IUPAC name of 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole (CID 11514657) is 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole.
What is the SMILES notation for 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole?
The canonical SMILES for 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole is CC(C)C1C=C(c2ccccc2)ON1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole?
The InChIKey is QYHSLFVZACYQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-15(2)18-13-19(17-11-7-4-8-12-17)21-20(18)14-16-9-5-3-6-10-16/h3-13,15,18H,14H2,1-2H3.
What are the key properties of 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole?
2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole is sourced from PubChem (CID 11514657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).