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

C10H16ClN3O — CID 106957580

IUPAC5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(N(C)CC2CCC2)o1
InChIInChI=1S/C10H16ClN3O/c1-7(11)9-12-13-10(15-9)14(2)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyLLTRLQDJEDUVDF-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.61
Rot. Bonds4

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

5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106957580) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106957580
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(N(C)CC2CCC2)o1
InChIInChI=1S/C10H16ClN3O/c1-7(11)9-12-13-10(15-9)14(2)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyLLTRLQDJEDUVDF-UHFFFAOYSA-N
XLogP2.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.61
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-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957704
5-(1-chloroethyl)-N-(cyclopropylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106956840
5-(1-chloroethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958199
N-(cyclohexylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959848
N-butyl-5-(1-chloroethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958895
5-(2-chloroethyl)-N-(cyclopentylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957705
5-(1-chloroethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106958009
N-(cyclobutylmethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960675
5-(1-chloroethyl)-N-(3-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106957936
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
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 106957580) is 5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(N(C)CC2CCC2)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is LLTRLQDJEDUVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(11)9-12-13-10(15-9)14(2)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 229.71 g/mol, XLogP of 2.61, 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-(cyclobutylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).