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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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).