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

C17H19ClN6O — CID 120867036

IUPAC1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2nc(C3CC3)n(-c3ccccc3Cl)n2)n1
InChIInChI=1S/C17H19ClN6O/c1-10(19-2)9-14-20-17(25-23-14)15-21-16(11-7-8-11)24(22-15)13-6-4-3-5-12(13)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeyOCZASVAHGJJNAS-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.00
Rot. Bonds6

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

1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120867036) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120867036
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2nc(C3CC3)n(-c3ccccc3Cl)n2)n1
InChIInChI=1S/C17H19ClN6O/c1-10(19-2)9-14-20-17(25-23-14)15-21-16(11-7-8-11)24(22-15)13-6-4-3-5-12(13)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeyOCZASVAHGJJNAS-UHFFFAOYSA-N
XLogP3.00
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867148
1-[5-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867655
N-methyl-1-[5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865123
1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167914466
1-[5-(3-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866559
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 166237340
1-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866887
1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865985
1-[5-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866988
3-[[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207653
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 137096097
1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866510

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120867036) is 1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2nc(C3CC3)n(-c3ccccc3Cl)n2)n1.
What is the InChIKey of 1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is OCZASVAHGJJNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-10(19-2)9-14-20-17(25-23-14)15-21-16(11-7-8-11)24(22-15)13-6-4-3-5-12(13)18/h3-6,10-11,19H,7-9H2,1-2H3.
What are the key properties of 1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 358.83 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120867036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).