5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine

C7H12ClN3O2 — CID 106956546

IUPAC5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCCNc1nnc(CCl)o1
InChIInChI=1S/C7H12ClN3O2/c1-12-4-2-3-9-7-11-10-6(5-8)13-7/h2-5H2,1H3,(H,9,11)
InChIKeyFHWZSXNPYZOKHM-UHFFFAOYSA-N
MW205.64 g/mol
LogP1.26
Rot. Bonds6

About 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine

5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106956546) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.64 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106956546
Molecular FormulaC7H12ClN3O2
Molecular Weight205.64 g/mol
Exact Mass205.06
IUPAC Name5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCCNc1nnc(CCl)o1
InChIInChI=1S/C7H12ClN3O2/c1-12-4-2-3-9-7-11-10-6(5-8)13-7/h2-5H2,1H3,(H,9,11)
InChIKeyFHWZSXNPYZOKHM-UHFFFAOYSA-N
XLogP1.26
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
CID 106958282
5-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)-1,3,4-oxadiazol-2-amine
CID 114131451
5-(2-chloroethyl)-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106958290
5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456081
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967947
5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456109
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
5-(chloromethyl)-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958380
4-(chloromethyl)-N-(3-methoxypropyl)-1,2,5-oxadiazol-3-amine
CID 134268347
5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 106956296
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106963665

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine (CID 106956546) is 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine is COCCCNc1nnc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FHWZSXNPYZOKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2/c1-12-4-2-3-9-7-11-10-6(5-8)13-7/h2-5H2,1H3,(H,9,11).
What are the key properties of 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 205.64 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).