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

C17H20ClN5O — CID 120866966

IUPAC1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ccc(-n3nc(C)c(Cl)c3C)cc2)n1
InChIInChI=1S/C17H20ClN5O/c1-10(19-4)9-15-20-17(24-22-15)13-5-7-14(8-6-13)23-12(3)16(18)11(2)21-23/h5-8,10,19H,9H2,1-4H3
InChIKeyYRCVHLXBLDFHRG-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.34
Rot. Bonds5

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

1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120866966) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120866966
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ccc(-n3nc(C)c(Cl)c3C)cc2)n1
InChIInChI=1S/C17H20ClN5O/c1-10(19-4)9-15-20-17(24-22-15)13-5-7-14(8-6-13)23-12(3)16(18)11(2)21-23/h5-8,10,19H,9H2,1-4H3
InChIKeyYRCVHLXBLDFHRG-UHFFFAOYSA-N
XLogP3.34
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865113
1-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866887
1-[5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866815
1-[5-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867390
1-[5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867444
1-[5-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865426
N-methyl-1-[5-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120866929
N-ethyl-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylaniline;hydrochloride
CID 120868223
1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866765
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120866966) is 1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2ccc(-n3nc(C)c(Cl)c3C)cc2)n1.
What is the InChIKey of 1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is YRCVHLXBLDFHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-10(19-4)9-15-20-17(24-22-15)13-5-7-14(8-6-13)23-12(3)16(18)11(2)21-23/h5-8,10,19H,9H2,1-4H3.
What are the key properties of 1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 345.83 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120866966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).