4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol

C12H13NO3 — CID 138513626

IUPAC4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol
SMILESCC(Cc1ncco1)c1ccc(O)cc1O
InChIInChI=1S/C12H13NO3/c1-8(6-12-13-4-5-16-12)10-3-2-9(14)7-11(10)15/h2-5,7-8,14-15H,6H2,1H3
InChIKeyNOWJCNISLSQTSI-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.43
Rot. Bonds3

About 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol

4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol (PubChem CID 138513626) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol
PubChem CID138513626
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol
SMILESCC(Cc1ncco1)c1ccc(O)cc1O
InChIInChI=1S/C12H13NO3/c1-8(6-12-13-4-5-16-12)10-3-2-9(14)7-11(10)15/h2-5,7-8,14-15H,6H2,1H3
InChIKeyNOWJCNISLSQTSI-UHFFFAOYSA-N
XLogP2.43
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hexan-2-ylbenzene-1,3-diol
CID 66695243
4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol
CID 144664585
2-(1,3-oxazol-2-yl)ethane-1,1-diamine
CID 67834564
4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
CID 25177607
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
4-[2-methyl-1-(2-methylpropylamino)propyl]benzene-1,3-diol
CID 177411598
4-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81403637
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,3-diol;hydrochloride
CID 171246317
4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol
CID 166717284
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
4-[(1S)-1-amino-3-methylbutyl]benzene-1,3-diol
CID 131014556

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol (CID 138513626) is 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol is CC(Cc1ncco1)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol?
The InChIKey is NOWJCNISLSQTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(6-12-13-4-5-16-12)10-3-2-9(14)7-11(10)15/h2-5,7-8,14-15H,6H2,1H3.
What are the key properties of 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol?
4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol has a molecular weight of 219.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol is sourced from PubChem (CID 138513626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).