N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C24H30N4O4 — CID 55491755

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCOc1ccc(C(NC(=O)CCc2nc(-c3ccncc3)no2)C(C)C)cc1OCC
InChIInChI=1S/C24H30N4O4/c1-5-30-19-8-7-18(15-20(19)31-6-2)23(16(3)4)26-21(29)9-10-22-27-24(28-32-22)17-11-13-25-14-12-17/h7-8,11-16,23H,5-6,9-10H2,1-4H3,(H,26,29)
InChIKeyQDZZKLGRULGBJR-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.38
Rot. Bonds11

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55491755) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55491755
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCOc1ccc(C(NC(=O)CCc2nc(-c3ccncc3)no2)C(C)C)cc1OCC
InChIInChI=1S/C24H30N4O4/c1-5-30-19-8-7-18(15-20(19)31-6-2)23(16(3)4)26-21(29)9-10-22-27-24(28-32-22)17-11-13-25-14-12-17/h7-8,11-16,23H,5-6,9-10H2,1-4H3,(H,26,29)
InChIKeyQDZZKLGRULGBJR-UHFFFAOYSA-N
XLogP4.38
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42892461
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
methyl 3-(3,4-dimethoxyphenyl)-3-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 55501269
N-[1-(2,4-dichlorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46508453
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55806841
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 55748131
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55707848
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 2986039
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43013763
N-[1-(2-bromophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55498576
2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 119223600

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55491755) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is CCOc1ccc(C(NC(=O)CCc2nc(-c3ccncc3)no2)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is QDZZKLGRULGBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-5-30-19-8-7-18(15-20(19)31-6-2)23(16(3)4)26-21(29)9-10-22-27-24(28-32-22)17-11-13-25-14-12-17/h7-8,11-16,23H,5-6,9-10H2,1-4H3,(H,26,29).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 438.53 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55491755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).