1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C16H19ClN6O — CID 120865985

IUPAC1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2nc(-n3nc(C)cc3C)ccc2Cl)n1
InChIInChI=1S/C16H19ClN6O/c1-9(18-4)8-13-19-16(24-22-13)15-12(17)5-6-14(20-15)23-11(3)7-10(2)21-23/h5-7,9,18H,8H2,1-4H3
InChIKeyCRWKQWQUZWXSTN-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.74
Rot. Bonds5

About 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120865985) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120865985
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2nc(-n3nc(C)cc3C)ccc2Cl)n1
InChIInChI=1S/C16H19ClN6O/c1-9(18-4)8-13-19-16(24-22-13)15-12(17)5-6-14(20-15)23-11(3)7-10(2)21-23/h5-7,9,18H,8H2,1-4H3
InChIKeyCRWKQWQUZWXSTN-UHFFFAOYSA-N
XLogP2.74
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine with MolForge

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Related Compounds

1-[5-(5-chloro-2-propan-2-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867596
1-[5-(2-chloro-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868448
1-[5-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867655
1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167914466
1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866966
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55551681
1-[5-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865426
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866776
1-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866887
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868499
N-methyl-1-[5-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120869514
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120865985) is 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2nc(-n3nc(C)cc3C)ccc2Cl)n1.
What is the InChIKey of 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is CRWKQWQUZWXSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-9(18-4)8-13-19-16(24-22-13)15-12(17)5-6-14(20-15)23-11(3)7-10(2)21-23/h5-7,9,18H,8H2,1-4H3.
What are the key properties of 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 346.82 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120865985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).