4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine

C11H13N3O — CID 115112194

IUPAC4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2cnoc2N)cc(N)c1C
InChIInChI=1S/C11H13N3O/c1-6-3-8(4-10(12)7(6)2)9-5-14-15-11(9)13/h3-5H,12-13H2,1-2H3
InChIKeyAZYJAOIIXLSNIV-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.12
Rot. Bonds1

About 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine

4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 115112194) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
PubChem CID115112194
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2cnoc2N)cc(N)c1C
InChIInChI=1S/C11H13N3O/c1-6-3-8(4-10(12)7(6)2)9-5-14-15-11(9)13/h3-5H,12-13H2,1-2H3
InChIKeyAZYJAOIIXLSNIV-UHFFFAOYSA-N
XLogP2.12
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(dimethylamino)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
CID 115112238
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
2,3-dimethyl-5-(3,4,5-trimethylphenyl)aniline
CID 89336175
4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine
CID 117355368
4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458759
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117372446
4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117364560
4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305300

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine (CID 115112194) is 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine is Cc1cc(-c2cnoc2N)cc(N)c1C.
What is the InChIKey of 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is AZYJAOIIXLSNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-3-8(4-10(12)7(6)2)9-5-14-15-11(9)13/h3-5H,12-13H2,1-2H3.
What are the key properties of 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine?
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 203.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115112194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).