N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide

C24H20N4O4 — CID 100773175

IUPACN-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1cccc(-c2noc(CNC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C24H20N4O4/c1-16-7-5-10-18(13-16)22-27-21(32-28-22)15-25-24(30)20(14-19-11-6-12-31-19)26-23(29)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,25,30)(H,26,29)/b20-14-
InChIKeyFRXWWYRMLMFYNI-ZHZULCJRSA-N
MW428.45 g/mol
LogP3.73
Rot. Bonds7

About N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 100773175) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID100773175
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1cccc(-c2noc(CNC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C24H20N4O4/c1-16-7-5-10-18(13-16)22-27-21(32-28-22)15-25-24(30)20(14-19-11-6-12-31-19)26-23(29)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,25,30)(H,26,29)/b20-14-
InChIKeyFRXWWYRMLMFYNI-ZHZULCJRSA-N
XLogP3.73
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100588598
3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
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N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
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N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
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CID 2063946
N-[3-[[3-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3821366
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
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N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
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N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide (CID 100773175) is N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide is Cc1cccc(-c2noc(CNC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)n2)c1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is FRXWWYRMLMFYNI-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-16-7-5-10-18(13-16)22-27-21(32-28-22)15-25-24(30)20(14-19-11-6-12-31-19)26-23(29)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,25,30)(H,26,29)/b20-14-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 428.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 100773175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).