N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C24H25N3O5 — CID 91939341

IUPACN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc(OC)c1OC
InChIInChI=1S/C24H25N3O5/c1-29-19-12-15(13-20(30-2)23(19)31-3)8-11-21(28)25-18-7-5-4-6-17(18)14-22-26-24(27-32-22)16-9-10-16/h4-8,11-13,16H,9-10,14H2,1-3H3,(H,25,28)
InChIKeyBVSIGFOVFQFVJB-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.22
Rot. Bonds9

About N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 91939341) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID91939341
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC NameN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc(OC)c1OC
InChIInChI=1S/C24H25N3O5/c1-29-19-12-15(13-20(30-2)23(19)31-3)8-11-21(28)25-18-7-5-4-6-17(18)14-22-26-24(27-32-22)16-9-10-16/h4-8,11-13,16H,9-10,14H2,1-3H3,(H,25,28)
InChIKeyBVSIGFOVFQFVJB-UHFFFAOYSA-N
XLogP4.22
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(2,3-dimethoxyphenyl)urea
CID 90562248
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
(E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55807842
1-(4-chlorophenyl)-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562228
N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 7944497
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea
CID 90562232
(E)-N-(2-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8749614
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(2,4-difluorophenyl)acetamide
CID 90562214
(E)-N-(2-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7929957
(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 60596805
N-propan-2-yl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6145912
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 2915510

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 91939341) is N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc(OC)c1OC.
What is the InChIKey of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is BVSIGFOVFQFVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-29-19-12-15(13-20(30-2)23(19)31-3)8-11-21(28)25-18-7-5-4-6-17(18)14-22-26-24(27-32-22)16-9-10-16/h4-8,11-13,16H,9-10,14H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 435.48 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 91939341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).