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

C10H11ClN2O — CID 139026301

IUPAC4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride
SMILESCc1c(N)noc1-c1ccccc1.Cl
InChIInChI=1S/C10H10N2O.ClH/c1-7-9(13-12-10(7)11)8-5-3-2-4-6-8;/h2-6H,1H3,(H2,11,12);1H
InChIKeyXZKSDZJLLSWNKF-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.65
Rot. Bonds1

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

4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride (PubChem CID 139026301) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride
PubChem CID139026301
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride
SMILESCc1c(N)noc1-c1ccccc1.Cl
InChIInChI=1S/C10H10N2O.ClH/c1-7-9(13-12-10(7)11)8-5-3-2-4-6-8;/h2-6H,1H3,(H2,11,12);1H
InChIKeyXZKSDZJLLSWNKF-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 4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride?
The IUPAC name of 4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride (CID 139026301) is 4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride is Cc1c(N)noc1-c1ccccc1.Cl.
What is the InChIKey of 4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride?
The InChIKey is XZKSDZJLLSWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.ClH/c1-7-9(13-12-10(7)11)8-5-3-2-4-6-8;/h2-6H,1H3,(H2,11,12);1H.
What are the key properties of 4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride?
4-methyl-5-phenyl-1,2-oxazol-3-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 4-methyl-5-phenyl-1,2-oxazol-3-amine;hydrochloride is sourced from PubChem (CID 139026301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).