4-(1,2-oxazol-4-yloxy)aniline

C9H8N2O2 — CID 115014641

IUPAC4-(1,2-oxazol-4-yloxy)aniline
SMILESNc1ccc(Oc2cnoc2)cc1
InChIInChI=1S/C9H8N2O2/c10-7-1-3-8(4-2-7)13-9-5-11-12-6-9/h1-6H,10H2
InChIKeyIGARTLCSJMIPOA-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.05
Rot. Bonds2

About 4-(1,2-oxazol-4-yloxy)aniline

4-(1,2-oxazol-4-yloxy)aniline (PubChem CID 115014641) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-(1,2-oxazol-4-yloxy)aniline.

Molecular Properties

Compound Name4-(1,2-oxazol-4-yloxy)aniline
PubChem CID115014641
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4-(1,2-oxazol-4-yloxy)aniline
SMILESNc1ccc(Oc2cnoc2)cc1
InChIInChI=1S/C9H8N2O2/c10-7-1-3-8(4-2-7)13-9-5-11-12-6-9/h1-6H,10H2
InChIKeyIGARTLCSJMIPOA-UHFFFAOYSA-N
XLogP2.05
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1,2-oxazol-4-yloxy)phenol
CID 115014786
4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
CID 117233378
4-(4-aminophenoxy)aniline
CID 161415647
4-phenoxyaniline
CID 158390066
4-(2-methoxyphenoxy)-1,2-oxazole
CID 117233377
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
CID 142398377
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
[4-(4-aminophenoxy)phenyl]-oxosulfanium
CID 174991384
4-(5-methylpyrimidin-2-yl)oxyaniline
CID 63208137
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-4-yloxy)aniline?
The IUPAC name of 4-(1,2-oxazol-4-yloxy)aniline (CID 115014641) is 4-(1,2-oxazol-4-yloxy)aniline.
What is the SMILES notation for 4-(1,2-oxazol-4-yloxy)aniline?
The canonical SMILES for 4-(1,2-oxazol-4-yloxy)aniline is Nc1ccc(Oc2cnoc2)cc1.
What is the InChIKey of 4-(1,2-oxazol-4-yloxy)aniline?
The InChIKey is IGARTLCSJMIPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-7-1-3-8(4-2-7)13-9-5-11-12-6-9/h1-6H,10H2.
What are the key properties of 4-(1,2-oxazol-4-yloxy)aniline?
4-(1,2-oxazol-4-yloxy)aniline has a molecular weight of 176.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-4-yloxy)aniline is sourced from PubChem (CID 115014641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).