3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole

C10H13ClN2O — CID 130970925

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole
SMILESClc1nc(CC2CC3CCC2C3)no1
InChIInChI=1S/C10H13ClN2O/c11-10-12-9(13-14-10)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyPGPINKRTYAJKCN-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.70
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole

3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole (PubChem CID 130970925) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole
PubChem CID130970925
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole
SMILESClc1nc(CC2CC3CCC2C3)no1
InChIInChI=1S/C10H13ClN2O/c11-10-12-9(13-14-10)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyPGPINKRTYAJKCN-UHFFFAOYSA-N
XLogP2.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole
CID 112572311
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine
CID 79557816
1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352919
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972002
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43157972
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335705
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
2-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-1,3,4-thiadiazole
CID 63383389
3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327060
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198936

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole (CID 130970925) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole is Clc1nc(CC2CC3CCC2C3)no1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole?
The InChIKey is PGPINKRTYAJKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10-12-9(13-14-10)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole?
3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole has a molecular weight of 212.68 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole is sourced from PubChem (CID 130970925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).