(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide

C19H17N3O4 — CID 7693268

IUPAC(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc(-c2nonc2NC(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H17N3O4/c1-24-15-10-9-14(12-16(15)25-2)18-19(22-26-21-18)20-17(23)11-8-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,22,23)/b11-8+
InChIKeyMBLNAAYQOYFZGZ-DHZHZOJOSA-N
MW351.36 g/mol
LogP3.41
Rot. Bonds6

About (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide

(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide (PubChem CID 7693268) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
PubChem CID7693268
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc(-c2nonc2NC(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H17N3O4/c1-24-15-10-9-14(12-16(15)25-2)18-19(22-26-21-18)20-17(23)11-8-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,22,23)/b11-8+
InChIKeyMBLNAAYQOYFZGZ-DHZHZOJOSA-N
XLogP3.41
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 7711257
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7692796
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 7678995
cis-(1R,3S)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 7678994
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 71741197
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 1398370
N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
CID 74572950
(E)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 19244514

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide (CID 7693268) is (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide is COc1ccc(-c2nonc2NC(=O)/C=C/c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide?
The InChIKey is MBLNAAYQOYFZGZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-24-15-10-9-14(12-16(15)25-2)18-19(22-26-21-18)20-17(23)11-8-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,22,23)/b11-8+.
What are the key properties of (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide?
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide has a molecular weight of 351.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 7693268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).