3-methoxy-4-(1,3-oxazol-5-yl)aniline

C10H10N2O2 — CID 15462732

IUPAC3-methoxy-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1cc(N)ccc1-c1cnco1
InChIInChI=1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3
InChIKeyKYCMMXMEXWSPCV-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.93
Rot. Bonds2

About 3-methoxy-4-(1,3-oxazol-5-yl)aniline

3-methoxy-4-(1,3-oxazol-5-yl)aniline (PubChem CID 15462732) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-methoxy-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(1,3-oxazol-5-yl)aniline
PubChem CID15462732
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-methoxy-4-(1,3-oxazol-5-yl)aniline
SMILESCOc1cc(N)ccc1-c1cnco1
InChIInChI=1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3
InChIKeyKYCMMXMEXWSPCV-UHFFFAOYSA-N
XLogP1.93
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-(1,3-oxazol-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)aniline (CID 15462732) is 3-methoxy-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for 3-methoxy-4-(1,3-oxazol-5-yl)aniline is COc1cc(N)ccc1-c1cnco1.
What is the InChIKey of 3-methoxy-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is KYCMMXMEXWSPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3.
What are the key properties of 3-methoxy-4-(1,3-oxazol-5-yl)aniline?
3-methoxy-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 190.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 15462732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).