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

C9H8N2O — CID 517747

IUPAC4-(1,3-oxazol-5-yl)aniline
SMILESNc1ccc(-c2cnco2)cc1
InChIInChI=1S/C9H8N2O/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2
InChIKeySLJBMRSOKUTXDF-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.92
Rot. Bonds1

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

4-(1,3-oxazol-5-yl)aniline (PubChem CID 517747) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)aniline
PubChem CID517747
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-(1,3-oxazol-5-yl)aniline
SMILESNc1ccc(-c2cnco2)cc1
InChIInChI=1S/C9H8N2O/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2
InChIKeySLJBMRSOKUTXDF-UHFFFAOYSA-N
XLogP1.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.92
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-(1,3-oxazol-5-yl)aniline?
The IUPAC name of 4-(1,3-oxazol-5-yl)aniline (CID 517747) is 4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for 4-(1,3-oxazol-5-yl)aniline is Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)aniline?
The InChIKey is SLJBMRSOKUTXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2.
What are the key properties of 4-(1,3-oxazol-5-yl)aniline?
4-(1,3-oxazol-5-yl)aniline has a molecular weight of 160.18 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 517747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).