5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine

C12H14ClN3O3 — CID 110456109

IUPAC5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNc1nnc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H14ClN3O3/c1-17-7-6-14-12-16-15-11(19-12)8-18-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyOPYVWOWWAVMJEQ-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.36
Rot. Bonds7

About 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine

5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 110456109) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
PubChem CID110456109
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNc1nnc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H14ClN3O3/c1-17-7-6-14-12-16-15-11(19-12)8-18-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyOPYVWOWWAVMJEQ-UHFFFAOYSA-N
XLogP2.36
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 52904168
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456533
4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012
5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
CID 110456081
5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106956546
N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970950
3-(4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 60683339
N-[(2,5-difluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961530
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106046898
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968280
N-(5-chloro-2-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968952

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine (CID 110456109) is 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine is COCCNc1nnc(COc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OPYVWOWWAVMJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-17-7-6-14-12-16-15-11(19-12)8-18-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,16).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 283.72 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).