3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine

C13H12ClN5O2 — CID 133463386

IUPAC3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1nc(CN(C)c2nc(-c3cccc(Cl)c3)no2)no1
InChIInChI=1S/C13H12ClN5O2/c1-8-15-11(17-20-8)7-19(2)13-16-12(18-21-13)9-4-3-5-10(14)6-9/h3-6H,7H2,1-2H3
InChIKeyUUQQZLQVBVBKIV-UHFFFAOYSA-N
MW305.73 g/mol
LogP2.72
Rot. Bonds4

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

3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133463386) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID133463386
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Name3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1nc(CN(C)c2nc(-c3cccc(Cl)c3)no2)no1
InChIInChI=1S/C13H12ClN5O2/c1-8-15-11(17-20-8)7-19(2)13-16-12(18-21-13)9-4-3-5-10(14)6-9/h3-6H,7H2,1-2H3
InChIKeyUUQQZLQVBVBKIV-UHFFFAOYSA-N
XLogP2.72
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorophenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 27097699
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 126819172
4-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide
CID 95209114
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
3-(3-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]-1,2,4-oxadiazole
CID 110293621
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78807499
6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 133463510
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
3-(3-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99130253
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine (CID 133463386) is 3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine is Cc1nc(CN(C)c2nc(-c3cccc(Cl)c3)no2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is UUQQZLQVBVBKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-8-15-11(17-20-8)7-19(2)13-16-12(18-21-13)9-4-3-5-10(14)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine?
3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 305.73 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133463386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).