5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine

C14H16ClN3O — CID 106957493

IUPAC5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(NC2CCc3ccccc3C2)o1
InChIInChI=1S/C14H16ClN3O/c15-8-7-13-17-18-14(19-13)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12H,5-9H2,(H,16,18)
InChIKeyGUDQSVMEWLNGPW-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.82
Rot. Bonds4

About 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine

5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106957493) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106957493
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(NC2CCc3ccccc3C2)o1
InChIInChI=1S/C14H16ClN3O/c15-8-7-13-17-18-14(19-13)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12H,5-9H2,(H,16,18)
InChIKeyGUDQSVMEWLNGPW-UHFFFAOYSA-N
XLogP2.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine (CID 106957493) is 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine is ClCCc1nnc(NC2CCc3ccccc3C2)o1.
What is the InChIKey of 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GUDQSVMEWLNGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-8-7-13-17-18-14(19-13)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,12H,5-9H2,(H,16,18).
What are the key properties of 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 277.76 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).