(E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide

C19H15ClFN3O2 — CID 68648133

IUPAC(E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
SMILESCc1cc(/C(=C\Nc2ccc(Cl)cc2)C(=O)Nc2ccc(F)cc2)on1
InChIInChI=1S/C19H15ClFN3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,22H,1H3,(H,23,25)/b17-11+
InChIKeyJVVJWHHEHPQOCC-GZTJUZNOSA-N
MW371.80 g/mol
LogP4.87
Rot. Bonds5

About (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide

(E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide (PubChem CID 68648133) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
PubChem CID68648133
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name(E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
SMILESCc1cc(/C(=C\Nc2ccc(Cl)cc2)C(=O)Nc2ccc(F)cc2)on1
InChIInChI=1S/C19H15ClFN3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,22H,1H3,(H,23,25)/b17-11+
InChIKeyJVVJWHHEHPQOCC-GZTJUZNOSA-N
XLogP4.87
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide (CID 68648133) is (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide is Cc1cc(/C(=C\Nc2ccc(Cl)cc2)C(=O)Nc2ccc(F)cc2)on1.
What is the InChIKey of (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide?
The InChIKey is JVVJWHHEHPQOCC-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,22H,1H3,(H,23,25)/b17-11+.
What are the key properties of (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide?
(E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide has a molecular weight of 371.80 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloroanilino)-N-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide is sourced from PubChem (CID 68648133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).