1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol

C12H20N2O2 — CID 115086123

IUPAC1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol
SMILESCC(O)c1cnc(CC2CCCCN2C)o1
InChIInChI=1S/C12H20N2O2/c1-9(15)11-8-13-12(16-11)7-10-5-3-4-6-14(10)2/h8-10,15H,3-7H2,1-2H3
InChIKeyOIDDTLMVQLLRIH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol

1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol (PubChem CID 115086123) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol
PubChem CID115086123
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol
SMILESCC(O)c1cnc(CC2CCCCN2C)o1
InChIInChI=1S/C12H20N2O2/c1-9(15)11-8-13-12(16-11)7-10-5-3-4-6-14(10)2/h8-10,15H,3-7H2,1-2H3
InChIKeyOIDDTLMVQLLRIH-UHFFFAOYSA-N
XLogP1.75
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115085991
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086163
3-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086271
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086180
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090753
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115085191
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106369735
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091039
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol
CID 115085814
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338141

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol?
The IUPAC name of 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol (CID 115086123) is 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol is CC(O)c1cnc(CC2CCCCN2C)o1.
What is the InChIKey of 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol?
The InChIKey is OIDDTLMVQLLRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(15)11-8-13-12(16-11)7-10-5-3-4-6-14(10)2/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol?
1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol has a molecular weight of 224.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 115086123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).