3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole

C12H15NO — CID 11535707

IUPAC3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)c1ccc(C2=NOCC2)cc1
InChIInChI=1S/C12H15NO/c1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12/h3-6,9H,7-8H2,1-2H3
InChIKeySNZFMKMWEVEHKA-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.93
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole

3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 11535707) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID11535707
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)c1ccc(C2=NOCC2)cc1
InChIInChI=1S/C12H15NO/c1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12/h3-6,9H,7-8H2,1-2H3
InChIKeySNZFMKMWEVEHKA-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole (CID 11535707) is 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole is CC(C)c1ccc(C2=NOCC2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is SNZFMKMWEVEHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole?
3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11535707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).