3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide

C17H19N5O2 — CID 136562024

IUPAC3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cc(C)n(Cc2cccc(-c3noc(CCC(N)=O)n3)c2)n1
InChIInChI=1S/C17H19N5O2/c1-11-8-12(2)22(20-11)10-13-4-3-5-14(9-13)17-19-16(24-21-17)7-6-15(18)23/h3-5,8-9H,6-7,10H2,1-2H3,(H2,18,23)
InChIKeyRWYMZDQXHSJIPL-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.02
Rot. Bonds6

About 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide

3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 136562024) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID136562024
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cc(C)n(Cc2cccc(-c3noc(CCC(N)=O)n3)c2)n1
InChIInChI=1S/C17H19N5O2/c1-11-8-12(2)22(20-11)10-13-4-3-5-14(9-13)17-19-16(24-21-17)7-6-15(18)23/h3-5,8-9H,6-7,10H2,1-2H3,(H2,18,23)
InChIKeyRWYMZDQXHSJIPL-UHFFFAOYSA-N
XLogP2.02
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120840932
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120840924
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562849
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylidenecyclopropyl)-1,2,4-oxadiazole
CID 154768841
5-(1,2-dimethylbenzimidazol-5-yl)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazole
CID 86905057
[4-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine;hydrochloride
CID 120955818
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120840882
S-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl] carbamothioate;hydrobromide
CID 89351154
3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
(2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120840936
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 47084051
2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one
CID 139016958

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 136562024) is 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide is Cc1cc(C)n(Cc2cccc(-c3noc(CCC(N)=O)n3)c2)n1.
What is the InChIKey of 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is RWYMZDQXHSJIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-8-12(2)22(20-11)10-13-4-3-5-14(9-13)17-19-16(24-21-17)7-6-15(18)23/h3-5,8-9H,6-7,10H2,1-2H3,(H2,18,23).
What are the key properties of 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide?
3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 325.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 136562024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).