N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

C12H15ClN4O2 — CID 106966341

IUPACN-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C12H15ClN4O2/c1-3-14-7-11-16-17-12(19-11)15-8-4-5-10(18-2)9(13)6-8/h4-6,14H,3,7H2,1-2H3,(H,15,17)
InChIKeyVHFPWUXXHHWMDD-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.58
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106966341) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106966341
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C12H15ClN4O2/c1-3-14-7-11-16-17-12(19-11)15-8-4-5-10(18-2)9(13)6-8/h4-6,14H,3,7H2,1-2H3,(H,15,17)
InChIKeyVHFPWUXXHHWMDD-UHFFFAOYSA-N
XLogP2.58
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966611
N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107581548
5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106971403
N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106961822
N-(3,4-dimethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106967269
5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106966767
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
N-(5-bromo-2-methoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960031
N-(3,4-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967871
N-(3-bromo-4-methylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961468
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
N-(4-ethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968230

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106966341) is N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(Nc2ccc(OC)c(Cl)c2)o1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VHFPWUXXHHWMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-3-14-7-11-16-17-12(19-11)15-8-4-5-10(18-2)9(13)6-8/h4-6,14H,3,7H2,1-2H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 282.73 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).