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

C19H23N5O2 — CID 31105412

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1cc(C)n(CCN(C)C(=O)CCc2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C19H23N5O2/c1-14-13-15(2)24(22-14)12-11-23(3)18(25)10-9-17-20-21-19(26-17)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3
InChIKeyRTURWCOFHZKBGN-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.64
Rot. Bonds7

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

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 31105412) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID31105412
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1cc(C)n(CCN(C)C(=O)CCc2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C19H23N5O2/c1-14-13-15(2)24(22-14)12-11-23(3)18(25)10-9-17-20-21-19(26-17)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3
InChIKeyRTURWCOFHZKBGN-UHFFFAOYSA-N
XLogP2.64
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylpropanamide
CID 25459871
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31746270
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 42096470
3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenylethyl)propanamide
CID 26397296
methyl 4-[[methyl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]benzoate
CID 37414906
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 45352017
3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 114230520
N,5,7-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77085010
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 39718287
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9089002
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 31105412) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is Cc1cc(C)n(CCN(C)C(=O)CCc2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is RTURWCOFHZKBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-13-15(2)24(22-14)12-11-23(3)18(25)10-9-17-20-21-19(26-17)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 353.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 31105412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).