N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide

C23H24N4O4 — CID 91364251

IUPACN-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide
SMILESCC(C)C[C@H](NC(=O)C=Cc1ccccc1)C(=O)Cn1c(-c2ccccn2)noc1=O
InChIInChI=1S/C23H24N4O4/c1-16(2)14-19(25-21(29)12-11-17-8-4-3-5-9-17)20(28)15-27-22(26-31-23(27)30)18-10-6-7-13-24-18/h3-13,16,19H,14-15H2,1-2H3,(H,25,29)/t19-/m0/s1
InChIKeyWVBPSOVLVNKCGX-IBGZPJMESA-N
MW420.47 g/mol
LogP2.71
Rot. Bonds9

About N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide

N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide (PubChem CID 91364251) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide
PubChem CID91364251
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide
SMILESCC(C)C[C@H](NC(=O)C=Cc1ccccc1)C(=O)Cn1c(-c2ccccn2)noc1=O
InChIInChI=1S/C23H24N4O4/c1-16(2)14-19(25-21(29)12-11-17-8-4-3-5-9-17)20(28)15-27-22(26-31-23(27)30)18-10-6-7-13-24-18/h3-13,16,19H,14-15H2,1-2H3,(H,25,29)/t19-/m0/s1
InChIKeyWVBPSOVLVNKCGX-IBGZPJMESA-N
XLogP2.71
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]benzamide
CID 20791350
2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 94813808
N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide
CID 20791351
methyl (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate
CID 6449731
benzyl N-[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxo-1-[5-oxo-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazol-4-yl]hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 20791297
benzyl N-[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxo-1-[5-oxo-3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-4-yl]hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate;molecular hydrogen
CID 158486586
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52539350
4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 110005318
N-(1-amino-3-methylbutyl)-3-phenylprop-2-enamide;hydrochloride
CID 69039299
(2R)-2-[3-(3-chlorophenyl)prop-2-enoylamino]-4-methylpentanoic acid
CID 78975676
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43170142

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide (CID 91364251) is N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide is CC(C)C[C@H](NC(=O)C=Cc1ccccc1)C(=O)Cn1c(-c2ccccn2)noc1=O.
What is the InChIKey of N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide?
The InChIKey is WVBPSOVLVNKCGX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N4O4/c1-16(2)14-19(25-21(29)12-11-17-8-4-3-5-9-17)20(28)15-27-22(26-31-23(27)30)18-10-6-7-13-24-18/h3-13,16,19H,14-15H2,1-2H3,(H,25,29)/t19-/m0/s1.
What are the key properties of N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide?
N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide has a molecular weight of 420.47 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 91364251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).