1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol

C12H20N2O2 — CID 115085991

IUPAC1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(CC2CCCN2C)o1
InChIInChI=1S/C12H20N2O2/c1-9(15)6-11-8-13-12(16-11)7-10-4-3-5-14(10)2/h8-10,15H,3-7H2,1-2H3
InChIKeyNFEHLHVJBKCCEH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.23
Rot. Bonds4

About 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol

1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol (PubChem CID 115085991) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol
PubChem CID115085991
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(CC2CCCN2C)o1
InChIInChI=1S/C12H20N2O2/c1-9(15)6-11-8-13-12(16-11)7-10-4-3-5-14(10)2/h8-10,15H,3-7H2,1-2H3
InChIKeyNFEHLHVJBKCCEH-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115086123
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
3-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086113
[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085964
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090753
1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115085086
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-5-yl]propan-2-amine
CID 115086399
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085355
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115085472

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol (CID 115085991) is 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol is CC(O)Cc1cnc(CC2CCCN2C)o1.
What is the InChIKey of 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol?
The InChIKey is NFEHLHVJBKCCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(15)6-11-8-13-12(16-11)7-10-4-3-5-14(10)2/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol?
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 115085991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).