N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C23H23N5O2 — CID 78862908

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C23H23N5O2/c1-17-25-22(30-27-17)13-12-21(29)24-14-20-16-28(15-18-8-4-2-5-9-18)26-23(20)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,24,29)
InChIKeyICJOKLDQERZNLK-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.54
Rot. Bonds8

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 78862908) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID78862908
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C23H23N5O2/c1-17-25-22(30-27-17)13-12-21(29)24-14-20-16-28(15-18-8-4-2-5-9-18)26-23(20)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,24,29)
InChIKeyICJOKLDQERZNLK-UHFFFAOYSA-N
XLogP3.54
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24610661
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 86998505
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 26117322
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]acetamide
CID 24610569
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 24617701
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(2,4-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86931665
3-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 24610653
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56515589
(3R)-3-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 25470117

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 78862908) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is ICJOKLDQERZNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-17-25-22(30-27-17)13-12-21(29)24-14-20-16-28(15-18-8-4-2-5-9-18)26-23(20)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,24,29).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 78862908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).