3-(1,2-oxazol-4-ylamino)phenol

C9H8N2O2 — CID 115014644

IUPAC3-(1,2-oxazol-4-ylamino)phenol
SMILESOc1cccc(Nc2cnoc2)c1
InChIInChI=1S/C9H8N2O2/c12-9-3-1-2-7(4-9)11-8-5-10-13-6-8/h1-6,11-12H
InChIKeyDMILOFRCJNGMMH-UHFFFAOYSA-N
MW176.18 g/mol
LogP2.12
Rot. Bonds2

About 3-(1,2-oxazol-4-ylamino)phenol

3-(1,2-oxazol-4-ylamino)phenol (PubChem CID 115014644) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(1,2-oxazol-4-ylamino)phenol.

Molecular Properties

Compound Name3-(1,2-oxazol-4-ylamino)phenol
PubChem CID115014644
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name3-(1,2-oxazol-4-ylamino)phenol
SMILESOc1cccc(Nc2cnoc2)c1
InChIInChI=1S/C9H8N2O2/c12-9-3-1-2-7(4-9)11-8-5-10-13-6-8/h1-6,11-12H
InChIKeyDMILOFRCJNGMMH-UHFFFAOYSA-N
XLogP2.12
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-4-ylamino)phenol
CID 13098457
3-[(1-phenylpyrazol-4-yl)amino]phenol
CID 82537317
3-(4-chloroanilino)phenol
CID 22350263
3-(2,6-dimethylanilino)phenol
CID 53407688
3-(1,3-benzodioxol-5-ylamino)phenol
CID 82537338
3-(4-methoxyanilino)phenol
CID 15574559
2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
CID 115028979
3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
CID 58542289
2-[3-(3-hydroxyanilino)phenyl]acetic acid
CID 70009460
3-(2-fluoroanilino)phenol
CID 82537350
3-(3-hydroxyanilino)-2H-furan-5-one
CID 142740431
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-4-ylamino)phenol?
The IUPAC name of 3-(1,2-oxazol-4-ylamino)phenol (CID 115014644) is 3-(1,2-oxazol-4-ylamino)phenol.
What is the SMILES notation for 3-(1,2-oxazol-4-ylamino)phenol?
The canonical SMILES for 3-(1,2-oxazol-4-ylamino)phenol is Oc1cccc(Nc2cnoc2)c1.
What is the InChIKey of 3-(1,2-oxazol-4-ylamino)phenol?
The InChIKey is DMILOFRCJNGMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9-3-1-2-7(4-9)11-8-5-10-13-6-8/h1-6,11-12H.
What are the key properties of 3-(1,2-oxazol-4-ylamino)phenol?
3-(1,2-oxazol-4-ylamino)phenol has a molecular weight of 176.18 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-4-ylamino)phenol is sourced from PubChem (CID 115014644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).