N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide

C28H26N2O5 — CID 19666579

IUPACN-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
SMILESCCOc1cc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)ccc1OCCc1ccccc1
InChIInChI=1S/C28H26N2O5/c1-3-33-26-18-21(9-14-25(26)34-16-15-20-7-5-4-6-8-20)17-24-28(32)35-27(30-24)22-10-12-23(13-11-22)29-19(2)31/h4-14,17-18H,3,15-16H2,1-2H3,(H,29,31)/b24-17-
InChIKeyCFTOIXSANMGBRF-ULJHMMPZSA-N
MW470.53 g/mol
LogP5.01
Rot. Bonds9

About N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide

N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide (PubChem CID 19666579) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
PubChem CID19666579
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC NameN-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
SMILESCCOc1cc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)ccc1OCCc1ccccc1
InChIInChI=1S/C28H26N2O5/c1-3-33-26-18-21(9-14-25(26)34-16-15-20-7-5-4-6-8-20)17-24-28(32)35-27(30-24)22-10-12-23(13-11-22)29-19(2)31/h4-14,17-18H,3,15-16H2,1-2H3,(H,29,31)/b24-17-
InChIKeyCFTOIXSANMGBRF-ULJHMMPZSA-N
XLogP5.01
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.01
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

N-[4-[(4Z)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666231
4-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4150331
N-[4-[(4Z)-4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666250
(4Z)-4-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2199359
(4Z)-2-(4-bromophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19662717
[2-ethoxy-4-[(E)-[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 46501010
N-[4-[(4Z)-4-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666666
(4Z)-4-[[3-ethoxy-5-iodo-4-(2-phenylethoxy)phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665668
[4-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-bromo-6-ethoxyphenyl] acetate
CID 19666203
(4Z)-2-(3,4-dichlorophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19672590
(4Z)-4-[(3,4-diethoxyphenyl)methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668305
N-[4-[(4Z)-4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666351

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide (CID 19666579) is N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide is CCOc1cc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)ccc1OCCc1ccccc1.
What is the InChIKey of N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide?
The InChIKey is CFTOIXSANMGBRF-ULJHMMPZSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-3-33-26-18-21(9-14-25(26)34-16-15-20-7-5-4-6-8-20)17-24-28(32)35-27(30-24)22-10-12-23(13-11-22)29-19(2)31/h4-14,17-18H,3,15-16H2,1-2H3,(H,29,31)/b24-17-.
What are the key properties of N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide?
N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4Z)-4-[[3-ethoxy-4-(2-phenylethoxy)phenyl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 19666579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).