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

C8H11ClN2O — CID 84719045

IUPAC5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
SMILESClc1cc(CC2CCCN2)no1
InChIInChI=1S/C8H11ClN2O/c9-8-5-7(11-12-8)4-6-2-1-3-10-6/h5-6,10H,1-4H2
InChIKeyKMNFKMVCAUELRY-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.62
Rot. Bonds2

About 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole

5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole (PubChem CID 84719045) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
PubChem CID84719045
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
SMILESClc1cc(CC2CCCN2)no1
InChIInChI=1S/C8H11ClN2O/c9-8-5-7(11-12-8)4-6-2-1-3-10-6/h5-6,10H,1-4H2
InChIKeyKMNFKMVCAUELRY-UHFFFAOYSA-N
XLogP1.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 82595027
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
2-[(5-chlorofuran-2-yl)methyl]pyrrolidine
CID 82655511
[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine
CID 115093549
3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine
CID 115008960
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 83846520
4-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82596500
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
3-chloro-5-(pyrrolidin-2-ylmethyl)aniline
CID 84678128
3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
CID 82626563
N,N-dimethyl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-amine
CID 11593670

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole (CID 84719045) is 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole is Clc1cc(CC2CCCN2)no1.
What is the InChIKey of 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The InChIKey is KMNFKMVCAUELRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-8-5-7(11-12-8)4-6-2-1-3-10-6/h5-6,10H,1-4H2.
What are the key properties of 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole has a molecular weight of 186.64 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 84719045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).