3-methyl-2-(1,2-oxazol-3-yl)aniline

C10H10N2O — CID 18757279

IUPAC3-methyl-2-(1,2-oxazol-3-yl)aniline
SMILESCc1cccc(N)c1-c1ccon1
InChIInChI=1S/C10H10N2O/c1-7-3-2-4-8(11)10(7)9-5-6-13-12-9/h2-6H,11H2,1H3
InChIKeyTVOVLNHAKGPKBH-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.23
Rot. Bonds1

About 3-methyl-2-(1,2-oxazol-3-yl)aniline

3-methyl-2-(1,2-oxazol-3-yl)aniline (PubChem CID 18757279) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-methyl-2-(1,2-oxazol-3-yl)aniline.

Molecular Properties

Compound Name3-methyl-2-(1,2-oxazol-3-yl)aniline
PubChem CID18757279
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-methyl-2-(1,2-oxazol-3-yl)aniline
SMILESCc1cccc(N)c1-c1ccon1
InChIInChI=1S/C10H10N2O/c1-7-3-2-4-8(11)10(7)9-5-6-13-12-9/h2-6H,11H2,1H3
InChIKeyTVOVLNHAKGPKBH-UHFFFAOYSA-N
XLogP2.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,2-oxazol-3-yl)aniline?
The IUPAC name of 3-methyl-2-(1,2-oxazol-3-yl)aniline (CID 18757279) is 3-methyl-2-(1,2-oxazol-3-yl)aniline.
What is the SMILES notation for 3-methyl-2-(1,2-oxazol-3-yl)aniline?
The canonical SMILES for 3-methyl-2-(1,2-oxazol-3-yl)aniline is Cc1cccc(N)c1-c1ccon1.
What is the InChIKey of 3-methyl-2-(1,2-oxazol-3-yl)aniline?
The InChIKey is TVOVLNHAKGPKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-3-2-4-8(11)10(7)9-5-6-13-12-9/h2-6H,11H2,1H3.
What are the key properties of 3-methyl-2-(1,2-oxazol-3-yl)aniline?
3-methyl-2-(1,2-oxazol-3-yl)aniline has a molecular weight of 174.20 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,2-oxazol-3-yl)aniline is sourced from PubChem (CID 18757279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).