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

C16H14N2O3 — CID 46880467

IUPAC4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol
SMILESCOc1cccc(-c2cnc(Nc3ccc(O)cc3)o2)c1
InChIInChI=1S/C16H14N2O3/c1-20-14-4-2-3-11(9-14)15-10-17-16(21-15)18-12-5-7-13(19)8-6-12/h2-10,19H,1H3,(H,17,18)
InChIKeyLWKIHDYMGCRQIJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.80
Rot. Bonds4

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

4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol (PubChem CID 46880467) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol
PubChem CID46880467
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol
SMILESCOc1cccc(-c2cnc(Nc3ccc(O)cc3)o2)c1
InChIInChI=1S/C16H14N2O3/c1-20-14-4-2-3-11(9-14)15-10-17-16(21-15)18-12-5-7-13(19)8-6-12/h2-10,19H,1H3,(H,17,18)
InChIKeyLWKIHDYMGCRQIJ-UHFFFAOYSA-N
XLogP3.80
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol?
The IUPAC name of 4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol (CID 46880467) is 4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol is COc1cccc(-c2cnc(Nc3ccc(O)cc3)o2)c1.
What is the InChIKey of 4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol?
The InChIKey is LWKIHDYMGCRQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-14-4-2-3-11(9-14)15-10-17-16(21-15)18-12-5-7-13(19)8-6-12/h2-10,19H,1H3,(H,17,18).
What are the key properties of 4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol?
4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol has a molecular weight of 282.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]amino]phenol is sourced from PubChem (CID 46880467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).