3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole

C12H15NO — CID 86056955

IUPAC3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C12H15NO/c1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChIKeySZMOTFRJDRRLQE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.84
Rot. Bonds2

About 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole

3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 86056955) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID86056955
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C12H15NO/c1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChIKeySZMOTFRJDRRLQE-UHFFFAOYSA-N
XLogP2.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 86056955) is 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole is CC(C)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is SZMOTFRJDRRLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3.
What are the key properties of 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 86056955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).