2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole

C12H13NO — CID 163658808

IUPAC2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole
SMILESC(=Cc1ccccc1)CC1=NCCO1
InChIInChI=1S/C12H13NO/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h1-7H,8-10H2
InChIKeyISPJPDVPNJRBEQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.52
Rot. Bonds3

About 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole

2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole (PubChem CID 163658808) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole
PubChem CID163658808
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole
SMILESC(=Cc1ccccc1)CC1=NCCO1
InChIInChI=1S/C12H13NO/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h1-7H,8-10H2
InChIKeyISPJPDVPNJRBEQ-UHFFFAOYSA-N
XLogP2.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole (CID 163658808) is 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole is C(=Cc1ccccc1)CC1=NCCO1.
What is the InChIKey of 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ISPJPDVPNJRBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h1-7H,8-10H2.
What are the key properties of 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole?
2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 163658808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).