N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C24H26N6O3 — CID 78835397

IUPACN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3ccnn3Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C24H26N6O3/c1-29(2)19-8-4-17(5-9-19)16-30-21(14-15-25-30)26-22(31)12-13-23-27-24(28-33-23)18-6-10-20(32-3)11-7-18/h4-11,14-15H,12-13,16H2,1-3H3,(H,26,31)
InChIKeyKCSJSAMIWLLKRT-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.63
Rot. Bonds9

About N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 78835397) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID78835397
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3ccnn3Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C24H26N6O3/c1-29(2)19-8-4-17(5-9-19)16-30-21(14-15-25-30)26-22(31)12-13-23-27-24(28-33-23)18-6-10-20(32-3)11-7-18/h4-11,14-15H,12-13,16H2,1-3H3,(H,26,31)
InChIKeyKCSJSAMIWLLKRT-UHFFFAOYSA-N
XLogP3.63
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]butanamide
CID 78806576
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-(4-fluorophenyl)propanamide
CID 78806750
3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 50832165
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
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N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55452219
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
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N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806510
N-[4-(cyanomethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 78835397) is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(-c2noc(CCC(=O)Nc3ccnn3Cc3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is KCSJSAMIWLLKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-29(2)19-8-4-17(5-9-19)16-30-21(14-15-25-30)26-22(31)12-13-23-27-24(28-33-23)18-6-10-20(32-3)11-7-18/h4-11,14-15H,12-13,16H2,1-3H3,(H,26,31).
What are the key properties of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 446.51 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 78835397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).