4-(1,2-oxazol-5-yl)aniline;hydrochloride

C9H9ClN2O — CID 68853473

IUPAC4-(1,2-oxazol-5-yl)aniline;hydrochloride
SMILESCl.Nc1ccc(-c2ccno2)cc1
InChIInChI=1S/C9H8N2O.ClH/c10-8-3-1-7(2-4-8)9-5-6-11-12-9;/h1-6H,10H2;1H
InChIKeyBZMNTSRVARVFAZ-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.35
Rot. Bonds1

About 4-(1,2-oxazol-5-yl)aniline;hydrochloride

4-(1,2-oxazol-5-yl)aniline;hydrochloride (PubChem CID 68853473) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-(1,2-oxazol-5-yl)aniline;hydrochloride.

Molecular Properties

Compound Name4-(1,2-oxazol-5-yl)aniline;hydrochloride
PubChem CID68853473
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name4-(1,2-oxazol-5-yl)aniline;hydrochloride
SMILESCl.Nc1ccc(-c2ccno2)cc1
InChIInChI=1S/C9H8N2O.ClH/c10-8-3-1-7(2-4-8)9-5-6-11-12-9;/h1-6H,10H2;1H
InChIKeyBZMNTSRVARVFAZ-UHFFFAOYSA-N
XLogP2.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.35
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-(1,2-oxazol-5-yl)aniline;hydrochloride?
The IUPAC name of 4-(1,2-oxazol-5-yl)aniline;hydrochloride (CID 68853473) is 4-(1,2-oxazol-5-yl)aniline;hydrochloride.
What is the SMILES notation for 4-(1,2-oxazol-5-yl)aniline;hydrochloride?
The canonical SMILES for 4-(1,2-oxazol-5-yl)aniline;hydrochloride is Cl.Nc1ccc(-c2ccno2)cc1.
What is the InChIKey of 4-(1,2-oxazol-5-yl)aniline;hydrochloride?
The InChIKey is BZMNTSRVARVFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.ClH/c10-8-3-1-7(2-4-8)9-5-6-11-12-9;/h1-6H,10H2;1H.
What are the key properties of 4-(1,2-oxazol-5-yl)aniline;hydrochloride?
4-(1,2-oxazol-5-yl)aniline;hydrochloride has a molecular weight of 196.64 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-5-yl)aniline;hydrochloride is sourced from PubChem (CID 68853473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).