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

C11H18ClN3O — CID 106957705

IUPAC5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(CC1CCCC1)c1nnc(CCCl)o1
InChIInChI=1S/C11H18ClN3O/c1-15(8-9-4-2-3-5-9)11-14-13-10(16-11)6-7-12/h9H,2-8H2,1H3
InChIKeyBDDWLWZJYIGDQU-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.48
Rot. Bonds5

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

5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106957705) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106957705
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(CC1CCCC1)c1nnc(CCCl)o1
InChIInChI=1S/C11H18ClN3O/c1-15(8-9-4-2-3-5-9)11-14-13-10(16-11)6-7-12/h9H,2-8H2,1H3
InChIKeyBDDWLWZJYIGDQU-UHFFFAOYSA-N
XLogP2.48
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.48
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-(2-chloroethyl)-N-methyl-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106957758
5-(2-chloroethyl)-N-methyl-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106957071
N-(cyclohexylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959848
5-(1-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957704
N-(cyclobutylmethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960675
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211
5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957580
5-(2-chloroethyl)-N-(2-ethoxyethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958155
5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106956840
5-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957378
1-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-3-methoxypropan-2-ol
CID 106957421
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961397

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 106957705) is 5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is CN(CC1CCCC1)c1nnc(CCCl)o1.
What is the InChIKey of 5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is BDDWLWZJYIGDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-15(8-9-4-2-3-5-9)11-14-13-10(16-11)6-7-12/h9H,2-8H2,1H3.
What are the key properties of 5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 243.74 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).