1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine

C12H16N2O — CID 123654244

IUPAC1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine
SMILESCCC(N)C1=NC(c2ccccc2)CO1
InChIInChI=1S/C12H16N2O/c1-2-10(13)12-14-11(8-15-12)9-6-4-3-5-7-9/h3-7,10-11H,2,8,13H2,1H3
InChIKeyNQRXUSCBTDBYEO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine

1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine (PubChem CID 123654244) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine
PubChem CID123654244
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine
SMILESCCC(N)C1=NC(c2ccccc2)CO1
InChIInChI=1S/C12H16N2O/c1-2-10(13)12-14-11(8-15-12)9-6-4-3-5-7-9/h3-7,10-11H,2,8,13H2,1H3
InChIKeyNQRXUSCBTDBYEO-UHFFFAOYSA-N
XLogP1.89
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine?
The IUPAC name of 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine (CID 123654244) is 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine is CCC(N)C1=NC(c2ccccc2)CO1.
What is the InChIKey of 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine?
The InChIKey is NQRXUSCBTDBYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-10(13)12-14-11(8-15-12)9-6-4-3-5-7-9/h3-7,10-11H,2,8,13H2,1H3.
What are the key properties of 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine?
1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine has a molecular weight of 204.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-amine is sourced from PubChem (CID 123654244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).