2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol

C12H16N2O2 — CID 79097012

IUPAC2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2cnoc2)c1
InChIInChI=1S/C12H16N2O2/c1-9(2)12(15)11-3-4-14(7-11)6-10-5-13-16-8-10/h3-5,7-9,12,15H,6H2,1-2H3
InChIKeyHCTXPEYGECFNQI-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.21
Rot. Bonds4

About 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol (PubChem CID 79097012) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol
PubChem CID79097012
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2cnoc2)c1
InChIInChI=1S/C12H16N2O2/c1-9(2)12(15)11-3-4-14(7-11)6-10-5-13-16-8-10/h3-5,7-9,12,15H,6H2,1-2H3
InChIKeyHCTXPEYGECFNQI-UHFFFAOYSA-N
XLogP2.21
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol (CID 79097012) is 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol is CC(C)C(O)c1ccn(Cc2cnoc2)c1.
What is the InChIKey of 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol?
The InChIKey is HCTXPEYGECFNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(2)12(15)11-3-4-14(7-11)6-10-5-13-16-8-10/h3-5,7-9,12,15H,6H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79097012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).