2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole

C21H25NO5 — CID 67581907

IUPAC2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(C2=NC(C)(C)C(c3ccc(OC)c(OC)c3)O2)cc1OC
InChIInChI=1S/C21H25NO5/c1-21(2)19(13-7-9-15(23-3)17(11-13)25-5)27-20(22-21)14-8-10-16(24-4)18(12-14)26-6/h7-12,19H,1-6H3
InChIKeyCPWXOYBCUDAVEW-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.02
Rot. Bonds6

About 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole

2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 67581907) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID67581907
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(C2=NC(C)(C)C(c3ccc(OC)c(OC)c3)O2)cc1OC
InChIInChI=1S/C21H25NO5/c1-21(2)19(13-7-9-15(23-3)17(11-13)25-5)27-20(22-21)14-8-10-16(24-4)18(12-14)26-6/h7-12,19H,1-6H3
InChIKeyCPWXOYBCUDAVEW-UHFFFAOYSA-N
XLogP4.02
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Diproteverine
CID 50463
1-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 429249
2-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-oxazoline
CID 2779168
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-3,4-dihydroisoquinoline
CID 22332367
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1-(phenylmethyl)-, hydrochloride
CID 2853780
1-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinoline hydrochloride
CID 2972268
1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline
CID 13492
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-3-veratryl-
CID 30060
1-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine
CID 303905
6',7'-dimethoxy-1'-methyl-4'H-spiro[cyclohexane-1,3'-isoquinoline]
CID 685907
1-Benzyl-6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinoline
CID 743721
(1-But-3-enyl-6,7-dimethoxy-3,4-dihydroisoquinolin-4-yl) acetate
CID 70688424

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 67581907) is 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole is COc1ccc(C2=NC(C)(C)C(c3ccc(OC)c(OC)c3)O2)cc1OC.
What is the InChIKey of 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is CPWXOYBCUDAVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-21(2)19(13-7-9-15(23-3)17(11-13)25-5)27-20(22-21)14-8-10-16(24-4)18(12-14)26-6/h7-12,19H,1-6H3.
What are the key properties of 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 371.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 67581907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).