3-(pyrrolidin-2-ylmethyl)-1,2-oxazole

C8H12N2O — CID 82595027

IUPAC3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
SMILESc1cc(CC2CCCN2)no1
InChIInChI=1S/C8H12N2O/c1-2-7(9-4-1)6-8-3-5-11-10-8/h3,5,7,9H,1-2,4,6H2
InChIKeyHDRSZMMOISJYLE-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.97
Rot. Bonds2

About 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole

3-(pyrrolidin-2-ylmethyl)-1,2-oxazole (PubChem CID 82595027) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
PubChem CID82595027
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
SMILESc1cc(CC2CCCN2)no1
InChIInChI=1S/C8H12N2O/c1-2-7(9-4-1)6-8-3-5-11-10-8/h3,5,7,9H,1-2,4,6H2
InChIKeyHDRSZMMOISJYLE-UHFFFAOYSA-N
XLogP0.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 84719045
N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 81178466
4-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82596500
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106607345
4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine
CID 11287692
N,N-dimethyl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-amine
CID 11593670
6-(pyrrolidin-2-ylmethyl)-2,1-benzoxazole
CID 84776812
5-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 82279461
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
2-[(5-chlorofuran-2-yl)methyl]pyrrolidine
CID 82655511

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole (CID 82595027) is 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole is c1cc(CC2CCCN2)no1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The InChIKey is HDRSZMMOISJYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-7(9-4-1)6-8-3-5-11-10-8/h3,5,7,9H,1-2,4,6H2.
What are the key properties of 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
3-(pyrrolidin-2-ylmethyl)-1,2-oxazole has a molecular weight of 152.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 82595027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).