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

C12H15NO — CID 91714423

IUPAC5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1C=NOC1c1ccccc1
InChIInChI=1S/C12H15NO/c1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3
InChIKeyUYKYVKBBKOPTBH-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.02
Rot. Bonds2

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

5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 91714423) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID91714423
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1C=NOC1c1ccccc1
InChIInChI=1S/C12H15NO/c1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3
InChIKeyUYKYVKBBKOPTBH-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
CID 337795
3-Bromo-5-phenyl-4,5-dihydroisoxazole
CID 13228169
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
3-Benzyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 15470983
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 44585631
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
4-Benzyl-4,5-dihydroisoxazole
CID 562962
5-Phenylisoxazoline
CID 568817
3-Isopropyl-5-phenylisoxazoline
CID 5326289
Pentanal O-benzyloxime
CID 9602269
3-Tert-butyl-5-phenyl-4,5-dihydroisoxazole
CID 10910614

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 91714423) is 5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole is CC(C)C1C=NOC1c1ccccc1.
What is the InChIKey of 5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is UYKYVKBBKOPTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3.
What are the key properties of 5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 189.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91714423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).