2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole

C15H17ClN2O2 — CID 39401349

IUPAC2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
SMILESClCCc1nnc(COc2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C15H17ClN2O2/c16-8-7-14-17-18-15(20-14)10-19-13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9H,1-4,7-8,10H2
InChIKeyOZMVPRPVFUVEAK-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 39401349) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
PubChem CID39401349
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
SMILESClCCc1nnc(COc2ccc3c(c2)CCCC3)o1
InChIInChI=1S/C15H17ClN2O2/c16-8-7-14-17-18-15(20-14)10-19-13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9H,1-4,7-8,10H2
InChIKeyOZMVPRPVFUVEAK-UHFFFAOYSA-N
XLogP3.31
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
CID 126012484
2-[(4-tert-butylphenoxy)methyl]-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39404103
2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole
CID 80606126
2-(3-chloropropyl)-5-[(3-ethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39416017
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
2-(2-chloroethyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 39442821
N-(4-methoxyphenyl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126011669
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 132970569
N-[(1R,2R)-2-methylcyclohexyl]-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7371197
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)furan-2-carboxylic acid
CID 61398917
4-(chloromethyl)-2-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1,3-thiazole
CID 63549707
5-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)pyridin-2-amine
CID 62885826

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole (CID 39401349) is 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole is ClCCc1nnc(COc2ccc3c(c2)CCCC3)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is OZMVPRPVFUVEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-8-7-14-17-18-15(20-14)10-19-13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9H,1-4,7-8,10H2.
What are the key properties of 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 292.77 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 39401349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).