N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide

C18H12Cl2N2O3 — CID 2376203

IUPACN-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1
InChIInChI=1S/C18H12Cl2N2O3/c1-10(23)21-13-5-2-11(3-6-13)8-16-18(24)25-17(22-16)14-7-4-12(19)9-15(14)20/h2-9H,1H3,(H,21,23)/b16-8-
InChIKeyBBHCWYOKSINRFA-PXNMLYILSA-N
MW375.21 g/mol
LogP4.30
Rot. Bonds3

About N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide

N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide (PubChem CID 2376203) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
PubChem CID2376203
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC NameN-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1
InChIInChI=1S/C18H12Cl2N2O3/c1-10(23)21-13-5-2-11(3-6-13)8-16-18(24)25-17(22-16)14-7-4-12(19)9-15(14)20/h2-9H,1H3,(H,21,23)/b16-8-
InChIKeyBBHCWYOKSINRFA-PXNMLYILSA-N
XLogP4.30
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.30
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

(4Z)-2-(2,4-dichlorophenyl)-4-[[4-(diethylamino)phenyl]methylidene]-1,3-oxazol-5-one
CID 19669980
[2-acetyloxy-4-[(E)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 2376209
[4-[(E)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] acetate
CID 1080171
(4Z)-2-(2,4-dichlorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 19669989
(4Z)-2-(2,4-dichlorophenyl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 9312801
(4Z)-2-(2,4-dichlorophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 6524681
(4E)-2-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 2203832
2-(2,4-dichlorophenyl)-4-[(3-iodophenyl)methylidene]-1,3-oxazol-5-one
CID 4038727
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one
CID 6519451
(4Z)-2-(2,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 831181
2-(2,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3109549
(4Z)-2-(2,4-dichlorophenyl)-4-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19670106

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide (CID 2376203) is N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1.
What is the InChIKey of N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide?
The InChIKey is BBHCWYOKSINRFA-PXNMLYILSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c1-10(23)21-13-5-2-11(3-6-13)8-16-18(24)25-17(22-16)14-7-4-12(19)9-15(14)20/h2-9H,1H3,(H,21,23)/b16-8-.
What are the key properties of N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide?
N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide has a molecular weight of 375.21 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-[2-(2,4-dichlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 2376203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).