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

C10H12N2O — CID 57170219

IUPAC(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESNCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C10H12N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6,9,12H,7,11H2
InChIKeyRBXFZVGHUHCHDQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.89
Rot. Bonds2

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

(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 57170219) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID57170219
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESNCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C10H12N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6,9,12H,7,11H2
InChIKeyRBXFZVGHUHCHDQ-UHFFFAOYSA-N
XLogP0.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl(ethoxy)amine
CID 18794272
Benzenemethanamine, N-(2-propen-1-yloxy)-
CID 10997373
Phenyloxazine
CID 53643691
1-phenyl-N-propan-2-yloxymethanamine
CID 53771755
1-phenyl-N-propoxymethanamine
CID 53895948
3-(Benzylamino)oxy-2-fluoropropan-1-amine
CID 21653004
5-(Isothiocyanatomethyl)-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 56982316
3-[(2,2-Difluoro-1-phenylethenyl)amino]oxy-2-fluoropropan-1-amine
CID 57132572
3-(4-Fluorophenyl)-5-(isothiocyanatomethyl)-2,5-dihydro-1,2-oxazole
CID 57175537
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91220190
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91287687
3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazole
CID 91587883

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 57170219) is (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine is NCC1C=C(c2ccccc2)NO1.
What is the InChIKey of (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is RBXFZVGHUHCHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6,9,12H,7,11H2.
What are the key properties of (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine?
(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 57170219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).