methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

C19H19NO5 — CID 16640411

IUPACmethyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1ON=C(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C19H19NO5/c1-22-14-8-4-12(5-9-14)16-17(20-25-18(16)19(21)24-3)13-6-10-15(23-2)11-7-13/h4-11,16,18H,1-3H3
InChIKeyZWOSQTMIFCVTSV-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.76
Rot. Bonds5

About methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 16640411) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID16640411
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1ON=C(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C19H19NO5/c1-22-14-8-4-12(5-9-14)16-17(20-25-18(16)19(21)24-3)13-6-10-15(23-2)11-7-13/h4-11,16,18H,1-3H3
InChIKeyZWOSQTMIFCVTSV-UHFFFAOYSA-N
XLogP2.76
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4Z)-4-(3-ethoxy-4-methoxybenzylidene)-3-phenyl-1,2-oxazol-5(4H)-one
CID 685684
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 2978440
ethyl (1E)-6-methoxy-1-[methyl(oxido)imino]-3-phenyl-1H-indene-2-carboxylate
CID 11530143
ethyl 3-ethyl-1-(methylnitroso)-6-(3-phenylpropoxy)-1H-indene-2-carboxylate
CID 11632586
ethyl 1-(methylnitroso)-3-(pentan-3-yl)-6-(3-phenylpropoxy)-1H-indene-2-carboxylate
CID 11704765
(S)-3-(3-((E)-1-(4-Methoxybenzyloxyimino)ethyl)phenyl)-2-ethoxypropanoicAcid
CID 25115103
(4Z)-4-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679283
(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 809304
4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one
CID 809302
1,2-bis(4-methoxyphenyl)ethanone O-acetyloxime
CID 5410067
(4Z)-4-[4-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46216831

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 16640411) is methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)C1ON=C(c2ccc(OC)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is ZWOSQTMIFCVTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-14-8-4-12(5-9-14)16-17(20-25-18(16)19(21)24-3)13-6-10-15(23-2)11-7-13/h4-11,16,18H,1-3H3.
What are the key properties of methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 16640411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).