(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide

C20H15F4N3O4 — CID 55766125

IUPAC(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide
SMILESCc1nc(-c2ccccc2NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)no1
InChIInChI=1S/C20H15F4N3O4/c1-11-25-18(27-31-11)14-4-2-3-5-15(14)26-17(28)9-7-12-6-8-13(29-19(21)22)10-16(12)30-20(23)24/h2-10,19-20H,1H3,(H,26,28)/b9-7+
InChIKeyRBDSVYFRPYAGGG-VQHVLOKHSA-N
MW437.35 g/mol
LogP4.90
Rot. Bonds8

About (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide (PubChem CID 55766125) has the molecular formula C20H15F4N3O4 and a molecular weight of 437.35 g/mol. Its IUPAC name is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide
PubChem CID55766125
Molecular FormulaC20H15F4N3O4
Molecular Weight437.35 g/mol
Exact Mass437.10
IUPAC Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide
SMILESCc1nc(-c2ccccc2NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)no1
InChIInChI=1S/C20H15F4N3O4/c1-11-25-18(27-31-11)14-4-2-3-5-15(14)26-17(28)9-7-12-6-8-13(29-19(21)22)10-16(12)30-20(23)24/h2-10,19-20H,1H3,(H,26,28)/b9-7+
InChIKeyRBDSVYFRPYAGGG-VQHVLOKHSA-N
XLogP4.90
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 54.90
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)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 30847487
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide
CID 55700686
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 34745108
(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide
CID 60605508
4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 8571908
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9105021
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]prop-2-enamide
CID 41359971
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 134045681
4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700547
N'-[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]-2-bromobenzohydrazide
CID 30856096
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 46689077
(E)-3-[2-(difluoromethoxy)phenyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 16594041

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide (CID 55766125) is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide is Cc1nc(-c2ccccc2NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)no1.
What is the InChIKey of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide?
The InChIKey is RBDSVYFRPYAGGG-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H15F4N3O4/c1-11-25-18(27-31-11)14-4-2-3-5-15(14)26-17(28)9-7-12-6-8-13(29-19(21)22)10-16(12)30-20(23)24/h2-10,19-20H,1H3,(H,26,28)/b9-7+.
What are the key properties of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide?
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide has a molecular weight of 437.35 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 55766125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).