4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine

C10H11N3O — CID 90655987

IUPAC4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1-c1cccc(N)c1
InChIInChI=1S/C10H11N3O/c1-6-9(10(12)13-14-6)7-3-2-4-8(11)5-7/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyQZXFEESTZUEYRD-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.81
Rot. Bonds1

About 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine

4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 90655987) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID90655987
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1onc(N)c1-c1cccc(N)c1
InChIInChI=1S/C10H11N3O/c1-6-9(10(12)13-14-6)7-3-2-4-8(11)5-7/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyQZXFEESTZUEYRD-UHFFFAOYSA-N
XLogP1.81
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine (CID 90655987) is 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine is Cc1onc(N)c1-c1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is QZXFEESTZUEYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-9(10(12)13-14-6)7-3-2-4-8(11)5-7/h2-5H,11H2,1H3,(H2,12,13).
What are the key properties of 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine?
4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 189.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 90655987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).