3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride

C10H11ClN2O — CID 75480718

IUPAC3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride
SMILESCc1noc(-c2ccccc2)c1N.Cl
InChIInChI=1S/C10H10N2O.ClH/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8;/h2-6H,11H2,1H3;1H
InChIKeyFESVIOZFFJTQJS-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.65
Rot. Bonds1

About 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride

3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride (PubChem CID 75480718) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride
PubChem CID75480718
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride
SMILESCc1noc(-c2ccccc2)c1N.Cl
InChIInChI=1S/C10H10N2O.ClH/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8;/h2-6H,11H2,1H3;1H
InChIKeyFESVIOZFFJTQJS-UHFFFAOYSA-N
XLogP2.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride?
The IUPAC name of 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride (CID 75480718) is 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride.
What is the SMILES notation for 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride?
The canonical SMILES for 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride is Cc1noc(-c2ccccc2)c1N.Cl.
What is the InChIKey of 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride?
The InChIKey is FESVIOZFFJTQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.ClH/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8;/h2-6H,11H2,1H3;1H.
What are the key properties of 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride?
3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-1,2-oxazol-4-amine;hydrochloride is sourced from PubChem (CID 75480718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).