(E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide

C14H10Cl2N2O3 — CID 75533591

IUPAC(E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)c1cnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H10Cl2N2O3/c1-8(19)12-7-17-14(21-12)18-13(20)5-3-9-2-4-10(15)11(16)6-9/h2-7H,1H3,(H,17,18,20)/b5-3+
InChIKeyAOWTUQHQZALENF-HWKANZROSA-N
MW325.15 g/mol
LogP3.84
Rot. Bonds4

About (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide

(E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 75533591) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID75533591
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name(E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)c1cnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H10Cl2N2O3/c1-8(19)12-7-17-14(21-12)18-13(20)5-3-9-2-4-10(15)11(16)6-9/h2-7H,1H3,(H,17,18,20)/b5-3+
InChIKeyAOWTUQHQZALENF-HWKANZROSA-N
XLogP3.84
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
(E)-3-(3,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 162395253
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2932282
3-(3,4-dichlorophenyl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 1113599
3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687476
(E)-3-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 78772179
3-(3,4-dichlorophenyl)-N-(4,6-dimethylpyridin-1-ium-2-yl)prop-2-enamide
CID 4746135
(E)-N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 6183154
N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4676638
3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide
CID 1221544

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide (CID 75533591) is (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide is CC(=O)c1cnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is AOWTUQHQZALENF-HWKANZROSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-8(19)12-7-17-14(21-12)18-13(20)5-3-9-2-4-10(15)11(16)6-9/h2-7H,1H3,(H,17,18,20)/b5-3+.
What are the key properties of (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
(E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 325.15 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 75533591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).