2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide

C13H15ClN4O2 — CID 169367879

IUPAC2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide
SMILESCCc1nnc(-c2ccc(OC)c(/N=C(/N)CCl)c2)o1
InChIInChI=1S/C13H15ClN4O2/c1-3-12-17-18-13(20-12)8-4-5-10(19-2)9(6-8)16-11(15)7-14/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyZBDSHZYKRAGEFY-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.54
Rot. Bonds5

About 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide

2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide (PubChem CID 169367879) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide
PubChem CID169367879
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide
SMILESCCc1nnc(-c2ccc(OC)c(/N=C(/N)CCl)c2)o1
InChIInChI=1S/C13H15ClN4O2/c1-3-12-17-18-13(20-12)8-4-5-10(19-2)9(6-8)16-11(15)7-14/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyZBDSHZYKRAGEFY-UHFFFAOYSA-N
XLogP2.54
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
2-(4-butoxy-3-methoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 16769325
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
2-chloro-N'-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]ethanimidamide
CID 169367271
N'-(5-chloro-2-methoxyphenyl)propanimidamide
CID 63178327
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
2-(3,4-dimethoxyphenyl)-5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 51293931
(1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172978498
2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole
CID 81283796
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
CID 169366293
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide (CID 169367879) is 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide is CCc1nnc(-c2ccc(OC)c(/N=C(/N)CCl)c2)o1.
What is the InChIKey of 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide?
The InChIKey is ZBDSHZYKRAGEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-3-12-17-18-13(20-12)8-4-5-10(19-2)9(6-8)16-11(15)7-14/h4-6H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide?
2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide has a molecular weight of 294.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide is sourced from PubChem (CID 169367879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).