[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol

C12H20N2O2 — CID 115093556

IUPAC[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol
SMILESCC(C)N1CCCC1Cc1oncc1CO
InChIInChI=1S/C12H20N2O2/c1-9(2)14-5-3-4-11(14)6-12-10(8-15)7-13-16-12/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyJKSXJZULTQFJFU-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.58
Rot. Bonds4

About [5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol

[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol (PubChem CID 115093556) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol
PubChem CID115093556
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol
SMILESCC(C)N1CCCC1Cc1oncc1CO
InChIInChI=1S/C12H20N2O2/c1-9(2)14-5-3-4-11(14)6-12-10(8-15)7-13-16-12/h7,9,11,15H,3-6,8H2,1-2H3
InChIKeyJKSXJZULTQFJFU-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-amine
CID 115093563
[5-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazol-4-yl]methanol
CID 115093485
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090781
[5-(2-piperidin-1-ylethyl)-1,2-oxazol-4-yl]methanol
CID 115093813
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078118
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088634
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
CID 115094138
N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090863
1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083115
1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081147
3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086113

Frequently Asked Questions

What is the IUPAC name of [5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol (CID 115093556) is [5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol is CC(C)N1CCCC1Cc1oncc1CO.
What is the InChIKey of [5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol?
The InChIKey is JKSXJZULTQFJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-5-3-4-11(14)6-12-10(8-15)7-13-16-12/h7,9,11,15H,3-6,8H2,1-2H3.
What are the key properties of [5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol?
[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol has a molecular weight of 224.30 g/mol, XLogP of 1.58, 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-2-yl)methyl]-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 115093556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).