4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline

C16H14N2O2 — CID 13404036

IUPAC4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline
SMILESCOc1ccc(-c2cnc(-c3ccc(N)cc3)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-19-14-8-4-11(5-9-14)15-10-18-16(20-15)12-2-6-13(17)7-3-12/h2-10H,17H2,1H3
InChIKeyAAQZLMTVPPRBEI-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.60
Rot. Bonds3

About 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline

4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline (PubChem CID 13404036) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline
PubChem CID13404036
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline
SMILESCOc1ccc(-c2cnc(-c3ccc(N)cc3)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-19-14-8-4-11(5-9-14)15-10-18-16(20-15)12-2-6-13(17)7-3-12/h2-10H,17H2,1H3
InChIKeyAAQZLMTVPPRBEI-UHFFFAOYSA-N
XLogP3.60
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline (CID 13404036) is 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline is COc1ccc(-c2cnc(-c3ccc(N)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline?
The InChIKey is AAQZLMTVPPRBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-14-8-4-11(5-9-14)15-10-18-16(20-15)12-2-6-13(17)7-3-12/h2-10H,17H2,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline?
4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline has a molecular weight of 266.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]aniline is sourced from PubChem (CID 13404036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).