[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol

C9H10N2O2 — CID 66399101

IUPAC[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol
SMILESOCc1cccn1Cc1cnoc1
InChIInChI=1S/C9H10N2O2/c12-6-9-2-1-3-11(9)5-8-4-10-13-7-8/h1-4,7,12H,5-6H2
InChIKeyLOEWRRNTFQGLMR-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.02
Rot. Bonds3

About [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol

[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol (PubChem CID 66399101) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol
PubChem CID66399101
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol
SMILESOCc1cccn1Cc1cnoc1
InChIInChI=1S/C9H10N2O2/c12-6-9-2-1-3-11(9)5-8-4-10-13-7-8/h1-4,7,12H,5-6H2
InChIKeyLOEWRRNTFQGLMR-UHFFFAOYSA-N
XLogP1.02
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol (CID 66399101) is [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol is OCc1cccn1Cc1cnoc1.
What is the InChIKey of [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol?
The InChIKey is LOEWRRNTFQGLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-6-9-2-1-3-11(9)5-8-4-10-13-7-8/h1-4,7,12H,5-6H2.
What are the key properties of [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol?
[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol has a molecular weight of 178.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 66399101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).