N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide

C24H26N2O6 — CID 17480787

IUPACN-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)cc1OC
InChIInChI=1S/C24H26N2O6/c1-5-25-22(27)14-30-20-11-6-16(13-21(20)29-4)12-19-24(28)32-23(26-19)17-7-9-18(10-8-17)31-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,25,27)/b19-12-
InChIKeyLPHDGRGLYSXZLZ-UNOMPAQXSA-N
MW438.48 g/mol
LogP3.34
Rot. Bonds9

About N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide

N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide (PubChem CID 17480787) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
PubChem CID17480787
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC NameN-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)cc1OC
InChIInChI=1S/C24H26N2O6/c1-5-25-22(27)14-30-20-11-6-16(13-21(20)29-4)12-19-24(28)32-23(26-19)17-7-9-18(10-8-17)31-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,25,27)/b19-12-
InChIKeyLPHDGRGLYSXZLZ-UNOMPAQXSA-N
XLogP3.34
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 71903794
methyl 2-[4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 19669906
(4Z)-4-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 979146
[2-methoxy-4-[(E)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] butanoate
CID 6488436
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 3424630
2-[4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 9052018
N-(3,4-dimethylphenyl)-2-[2-methoxy-4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]acetamide
CID 1109259
(4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 26497257
(4Z)-2-(4-hexoxyphenyl)-4-[(3-methoxy-4-octoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 170458914
(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 920418
[2-ethoxy-4-[(E)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 2-methylpropanoate
CID 6488448
(4E)-2-(4-methoxyphenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6491479

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide (CID 17480787) is N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide is CCNC(=O)COc1ccc(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)cc1OC.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide?
The InChIKey is LPHDGRGLYSXZLZ-UNOMPAQXSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-5-25-22(27)14-30-20-11-6-16(13-21(20)29-4)12-19-24(28)32-23(26-19)17-7-9-18(10-8-17)31-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,25,27)/b19-12-.
What are the key properties of N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide?
N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide has a molecular weight of 438.48 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methoxy-4-[(Z)-[5-oxo-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 17480787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).