[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol

C12H20N2O2 — CID 115093923

IUPAC[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
SMILESCC(C)N1CCC(Cc2cc(CO)no2)C1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-4-3-10(7-14)5-12-6-11(8-15)13-16-12/h6,9-10,15H,3-5,7-8H2,1-2H3
InChIKeyKTIAHELSAPFZBH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.44
Rot. Bonds4

About [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol

[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol (PubChem CID 115093923) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
PubChem CID115093923
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
SMILESCC(C)N1CCC(Cc2cc(CO)no2)C1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-4-3-10(7-14)5-12-6-11(8-15)13-16-12/h6,9-10,15H,3-5,7-8H2,1-2H3
InChIKeyKTIAHELSAPFZBH-UHFFFAOYSA-N
XLogP1.44
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol (CID 115093923) is [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol is CC(C)N1CCC(Cc2cc(CO)no2)C1.
What is the InChIKey of [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is KTIAHELSAPFZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-4-3-10(7-14)5-12-6-11(8-15)13-16-12/h6,9-10,15H,3-5,7-8H2,1-2H3.
What are the key properties of [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol?
[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 224.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 115093923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).