3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide

C21H25N5O2 — CID 50983252

IUPAC3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
SMILESCc1ccc(NCCCNC(=O)CCc2nc(-c3ccccc3C)no2)nc1
InChIInChI=1S/C21H25N5O2/c1-15-8-9-18(24-14-15)22-12-5-13-23-19(27)10-11-20-25-21(26-28-20)17-7-4-3-6-16(17)2/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyQBSNYACOGYNPGD-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.30
Rot. Bonds9

About 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide

3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide (PubChem CID 50983252) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
PubChem CID50983252
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
SMILESCc1ccc(NCCCNC(=O)CCc2nc(-c3ccccc3C)no2)nc1
InChIInChI=1S/C21H25N5O2/c1-15-8-9-18(24-14-15)22-12-5-13-23-19(27)10-11-20-25-21(26-28-20)17-7-4-3-6-16(17)2/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyQBSNYACOGYNPGD-UHFFFAOYSA-N
XLogP3.30
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
N-(4,4-dimethylpentyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611296
N-(2-ethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758721
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 17101262
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 50983094
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110323644
N-(5-chloro-2-methylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758765
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647
N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 50984487
N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50968169
3-(2,6-dichlorophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100604654
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide?
The IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide (CID 50983252) is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide.
What is the SMILES notation for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide?
The canonical SMILES for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide is Cc1ccc(NCCCNC(=O)CCc2nc(-c3ccccc3C)no2)nc1.
What is the InChIKey of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide?
The InChIKey is QBSNYACOGYNPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-8-9-18(24-14-15)22-12-5-13-23-19(27)10-11-20-25-21(26-28-20)17-7-4-3-6-16(17)2/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,22,24)(H,23,27).
What are the key properties of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide?
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide is sourced from PubChem (CID 50983252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).