N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide

C24H28N4O3 — CID 56510323

IUPACN-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C24H28N4O3/c1-4-6-17-8-10-18(11-9-17)20(29)12-13-21(30)26-22(16(2)3)24-27-23(28-31-24)19-7-5-14-25-15-19/h5,7-11,14-16,22H,4,6,12-13H2,1-3H3,(H,26,30)
InChIKeyQJDHHJPIUXWEEV-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.56
Rot. Bonds10

About N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide

N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide (PubChem CID 56510323) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide
PubChem CID56510323
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C24H28N4O3/c1-4-6-17-8-10-18(11-9-17)20(29)12-13-21(30)26-22(16(2)3)24-27-23(28-31-24)19-7-5-14-25-15-19/h5,7-11,14-16,22H,4,6,12-13H2,1-3H3,(H,26,30)
InChIKeyQJDHHJPIUXWEEV-UHFFFAOYSA-N
XLogP4.56
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 51133640
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
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3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 56580120
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
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2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 94817594
2-cyclopent-2-en-1-yl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
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3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 45242404
1-(3,5-difluorophenyl)-3-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
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3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide?
The IUPAC name of N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide (CID 56510323) is N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide.
What is the SMILES notation for N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide?
The canonical SMILES for N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide is CCCc1ccc(C(=O)CCC(=O)NC(c2nc(-c3cccnc3)no2)C(C)C)cc1.
What is the InChIKey of N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide?
The InChIKey is QJDHHJPIUXWEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-6-17-8-10-18(11-9-17)20(29)12-13-21(30)26-22(16(2)3)24-27-23(28-31-24)19-7-5-14-25-15-19/h5,7-11,14-16,22H,4,6,12-13H2,1-3H3,(H,26,30).
What are the key properties of N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide?
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide has a molecular weight of 420.51 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 56510323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).