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

C10H12N2O2 — CID 79107263

IUPAC1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1Cc1cnoc1
InChIInChI=1S/C10H12N2O2/c1-8(13)10-3-2-4-12(10)6-9-5-11-14-7-9/h2-5,7-8,13H,6H2,1H3
InChIKeyCWXRKBBVARWQSH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.58
Rot. Bonds3

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

1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol (PubChem CID 79107263) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol
PubChem CID79107263
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1Cc1cnoc1
InChIInChI=1S/C10H12N2O2/c1-8(13)10-3-2-4-12(10)6-9-5-11-14-7-9/h2-5,7-8,13H,6H2,1H3
InChIKeyCWXRKBBVARWQSH-UHFFFAOYSA-N
XLogP1.58
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol (CID 79107263) is 1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol is CC(O)c1cccn1Cc1cnoc1.
What is the InChIKey of 1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol?
The InChIKey is CWXRKBBVARWQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8(13)10-3-2-4-12(10)6-9-5-11-14-7-9/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol?
1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol has a molecular weight of 192.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol is sourced from PubChem (CID 79107263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).