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

C10H12N2O — CID 12889668

IUPAC(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESNCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H12N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2
InChIKeyLUVOYHINQVUVDI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.14
Rot. Bonds2

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

(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 12889668) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID12889668
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESNCC1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H12N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2
InChIKeyLUVOYHINQVUVDI-UHFFFAOYSA-N
XLogP1.14
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 12889668) is (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is NCC1CC(c2ccccc2)=NO1.
What is the InChIKey of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is LUVOYHINQVUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2.
What are the key properties of (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 12889668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).