ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate

C19H16ClNO3 — CID 134907929

IUPACethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate
SMILESCCOC(=O)/C=C1/OC(c2ccc(Cl)cc2)=NC1c1ccccc1
InChIInChI=1S/C19H16ClNO3/c1-2-23-17(22)12-16-18(13-6-4-3-5-7-13)21-19(24-16)14-8-10-15(20)11-9-14/h3-12,18H,2H2,1H3/b16-12+
InChIKeyOEHTWWWQGPZMAR-FOWTUZBSSA-N
MW341.79 g/mol
LogP4.31
Rot. Bonds4

About ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate

ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate (PubChem CID 134907929) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate
PubChem CID134907929
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Nameethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate
SMILESCCOC(=O)/C=C1/OC(c2ccc(Cl)cc2)=NC1c1ccccc1
InChIInChI=1S/C19H16ClNO3/c1-2-23-17(22)12-16-18(13-6-4-3-5-7-13)21-19(24-16)14-8-10-15(20)11-9-14/h3-12,18H,2H2,1H3/b16-12+
InChIKeyOEHTWWWQGPZMAR-FOWTUZBSSA-N
XLogP4.31
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-[3-(4-chlorobenzoyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-ylidene]acetate
CID 45043433
ethyl 2-(3-phenylcyclobutylidene)acetate
CID 178132588
ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate
CID 117046633
ethyl 2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 23561154
chlorobenzene;diethyl 2-methylidenepropanedioate
CID 174760739
ethyl (2Z)-2-(7-chloro-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetate
CID 135023119
ethyl 2-[2-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-ylidene]acetate
CID 171851768
ethyl (2R,3R)-1-(4-chlorophenyl)-3-phenylaziridine-2-carboxylate
CID 11808800
ethyl 2-(3-methyloxiran-2-ylidene)acetate
CID 141372783
ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenylpyrazolidine-4-carboxylate
CID 11739857
ethyl 4-(4-chlorophenyl)-7-(2-hydroxybenzoyl)-2-phenyl-2H-pyrimido[1,2-a]pyrimidine-3-carboxylate
CID 11443641
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate (CID 134907929) is ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate is CCOC(=O)/C=C1/OC(c2ccc(Cl)cc2)=NC1c1ccccc1.
What is the InChIKey of ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate?
The InChIKey is OEHTWWWQGPZMAR-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-2-23-17(22)12-16-18(13-6-4-3-5-7-13)21-19(24-16)14-8-10-15(20)11-9-14/h3-12,18H,2H2,1H3/b16-12+.
What are the key properties of ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate?
ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate has a molecular weight of 341.79 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[2-(4-chlorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]acetate is sourced from PubChem (CID 134907929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).