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

C10H10N2O — CID 61393319

IUPAC4-methyl-3-(1,3-oxazol-2-yl)aniline
SMILESCc1ccc(N)cc1-c1ncco1
InChIInChI=1S/C10H10N2O/c1-7-2-3-8(11)6-9(7)10-12-4-5-13-10/h2-6H,11H2,1H3
InChIKeyIPIYCICVSHONFK-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.23
Rot. Bonds1

About 4-methyl-3-(1,3-oxazol-2-yl)aniline

4-methyl-3-(1,3-oxazol-2-yl)aniline (PubChem CID 61393319) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-methyl-3-(1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(1,3-oxazol-2-yl)aniline
PubChem CID61393319
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-methyl-3-(1,3-oxazol-2-yl)aniline
SMILESCc1ccc(N)cc1-c1ncco1
InChIInChI=1S/C10H10N2O/c1-7-2-3-8(11)6-9(7)10-12-4-5-13-10/h2-6H,11H2,1H3
InChIKeyIPIYCICVSHONFK-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 4-methyl-3-(1,3-oxazol-2-yl)aniline?
The IUPAC name of 4-methyl-3-(1,3-oxazol-2-yl)aniline (CID 61393319) is 4-methyl-3-(1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 4-methyl-3-(1,3-oxazol-2-yl)aniline?
The canonical SMILES for 4-methyl-3-(1,3-oxazol-2-yl)aniline is Cc1ccc(N)cc1-c1ncco1.
What is the InChIKey of 4-methyl-3-(1,3-oxazol-2-yl)aniline?
The InChIKey is IPIYCICVSHONFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-2-3-8(11)6-9(7)10-12-4-5-13-10/h2-6H,11H2,1H3.
What are the key properties of 4-methyl-3-(1,3-oxazol-2-yl)aniline?
4-methyl-3-(1,3-oxazol-2-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 4-methyl-3-(1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 61393319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).