5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

C11H18ClN3O — CID 106957704

IUPAC5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(N(C)CC2CCCC2)o1
InChIInChI=1S/C11H18ClN3O/c1-8(12)10-13-14-11(16-10)15(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeyVQDLVZHZRHJSQR-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.00
Rot. Bonds4

About 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106957704) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106957704
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(N(C)CC2CCCC2)o1
InChIInChI=1S/C11H18ClN3O/c1-8(12)10-13-14-11(16-10)15(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeyVQDLVZHZRHJSQR-UHFFFAOYSA-N
XLogP3.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.00
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

5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957580
5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106956840
N-(cyclohexylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959848
5-(1-chloroethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958199
5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957705
N-butyl-5-(1-chloroethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958895
5-(1-chloroethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106958009
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211
5-(1-chloroethyl)-N-(3-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106957936
N-(cyclobutylmethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960675
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide
CID 106958431
5-(2-chloroethyl)-N-methyl-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106957758

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 106957704) is 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(N(C)CC2CCCC2)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is VQDLVZHZRHJSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8(12)10-13-14-11(16-10)15(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 243.74 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).