3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine

C11H13N3O — CID 154305895

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
SMILESCc1noc(C)c1-c1cccc(N)c1N
InChIInChI=1S/C11H13N3O/c1-6-10(7(2)15-14-6)8-4-3-5-9(12)11(8)13/h3-5H,12-13H2,1-2H3
InChIKeyGIOBFBUJRAFPBU-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.12
Rot. Bonds1

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine

3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine (PubChem CID 154305895) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
PubChem CID154305895
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
SMILESCc1noc(C)c1-c1cccc(N)c1N
InChIInChI=1S/C11H13N3O/c1-6-10(7(2)15-14-6)8-4-3-5-9(12)11(8)13/h3-5H,12-13H2,1-2H3
InChIKeyGIOBFBUJRAFPBU-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-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 91804006
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
(2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25114259
8'-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58467215
3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole
CID 66876139
6-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-3-amine
CID 130058108
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 2742677
4-(3,4-dihydronaphthalen-1-yl)-3,5-dimethyl-1,2-oxazole
CID 135045577
[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 90285357
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol
CID 53219249

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine (CID 154305895) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine is Cc1noc(C)c1-c1cccc(N)c1N.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine?
The InChIKey is GIOBFBUJRAFPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-10(7(2)15-14-6)8-4-3-5-9(12)11(8)13/h3-5H,12-13H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine?
3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine 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 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 154305895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).