2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole

C12H11ClN2O — CID 107127961

IUPAC2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole
SMILESClc1nnc(C2CCc3ccccc3C2)o1
InChIInChI=1S/C12H11ClN2O/c13-12-15-14-11(16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2
InChIKeyXOIMETOPHMAVNT-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.00
Rot. Bonds1

About 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole

2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole (PubChem CID 107127961) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole
PubChem CID107127961
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole
SMILESClc1nnc(C2CCc3ccccc3C2)o1
InChIInChI=1S/C12H11ClN2O/c13-12-15-14-11(16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2
InChIKeyXOIMETOPHMAVNT-UHFFFAOYSA-N
XLogP3.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
CID 114771019
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082
2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107127579
4-chloro-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline
CID 129389639
5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
CID 66291866
N-[[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 107127585
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 65408038
5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-thiadiazol-3-amine
CID 107127867
5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957493
4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
CID 66294437
ethyl 5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 107127602

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole (CID 107127961) is 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole is Clc1nnc(C2CCc3ccccc3C2)o1.
What is the InChIKey of 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole?
The InChIKey is XOIMETOPHMAVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-12-15-14-11(16-12)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2.
What are the key properties of 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole?
2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole has a molecular weight of 234.69 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 107127961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).