3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole

C12H15NO — CID 57062385

IUPAC3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCCc2ccccc2)NOC1
InChIInChI=1S/C12H15NO/c1-2-5-11(6-3-1)7-4-8-12-9-10-14-13-12/h1-3,5-6,9,13H,4,7-8,10H2
InChIKeyAFSRVWMMIWSBFZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.43
Rot. Bonds4

About 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole

3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57062385) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole
PubChem CID57062385
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCCc2ccccc2)NOC1
InChIInChI=1S/C12H15NO/c1-2-5-11(6-3-1)7-4-8-12-9-10-14-13-12/h1-3,5-6,9,13H,4,7-8,10H2
InChIKeyAFSRVWMMIWSBFZ-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyloxazine
CID 53643691
N-ethoxy-2-phenylethanamine
CID 54137768
3-[4,4-Bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
CID 57118295
3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
CID 91587883
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 123323469
Thiobenzoyloxazin
CID 129634604
Geranyloxyphenethylamine
CID 129710303
N-[(E)-3-phenylprop-2-enoxy]ethanamine
CID 134896875
4-phenyl-3,6-dihydro-2H-oxazine
CID 12580583
3-Methyl-5-phenyl-2,5-dihydro-1,2-oxazole
CID 13739907
3-Phenyl-2,5-dihydro-1,2-oxazole
CID 14642163
3-Benzyl-4-(methoxyamino)cyclopenta-2,4-dien-1-ol
CID 56624458

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole (CID 57062385) is 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole is C1=C(CCCc2ccccc2)NOC1.
What is the InChIKey of 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is AFSRVWMMIWSBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-5-11(6-3-1)7-4-8-12-9-10-14-13-12/h1-3,5-6,9,13H,4,7-8,10H2.
What are the key properties of 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole?
3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57062385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).