2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol

C11H18N2O2 — CID 115085252

IUPAC2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(CC2CCNC2)o1
InChIInChI=1S/C11H18N2O2/c1-8(7-14)10-6-13-11(15-10)4-9-2-3-12-5-9/h6,8-9,12,14H,2-5,7H2,1H3
InChIKeyYOMVWRBLKTUJQJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.92
Rot. Bonds4

About 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol

2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol (PubChem CID 115085252) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol
PubChem CID115085252
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(CC2CCNC2)o1
InChIInChI=1S/C11H18N2O2/c1-8(7-14)10-6-13-11(15-10)4-9-2-3-12-5-9/h6,8-9,12,14H,2-5,7H2,1H3
InChIKeyYOMVWRBLKTUJQJ-UHFFFAOYSA-N
XLogP0.92
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085410
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086366
2-(pyrrolidin-3-ylmethyl)-1,3-oxazole-5-carbaldehyde
CID 115085208
N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085300
5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
CID 84665659
2-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115087963
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazol-5-yl]propan-1-ol
CID 115087463
2-(2-piperidin-2-yl-1,3-oxazol-5-yl)propan-1-ol
CID 115085864
1-[2-(thian-4-ylmethyl)-1,3-oxazol-5-yl]ethanol
CID 115085353
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 105493991
2-methylsulfanyl-5-(pyrrolidin-3-ylmethyl)-1,3,4-oxadiazole
CID 116995899

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol?
The IUPAC name of 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol (CID 115085252) is 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol is CC(CO)c1cnc(CC2CCNC2)o1.
What is the InChIKey of 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol?
The InChIKey is YOMVWRBLKTUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(7-14)10-6-13-11(15-10)4-9-2-3-12-5-9/h6,8-9,12,14H,2-5,7H2,1H3.
What are the key properties of 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol?
2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 115085252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).