5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole

C22H22N2O4 — CID 11057943

IUPAC5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole
SMILESC=C(Cc1cc(OC)cc2nc(C)oc12)Cc1cc(OC)cc2nc(C)oc12
InChIInChI=1S/C22H22N2O4/c1-12(6-15-8-17(25-4)10-19-21(15)27-13(2)23-19)7-16-9-18(26-5)11-20-22(16)28-14(3)24-20/h8-11H,1,6-7H2,2-5H3
InChIKeyYLGUQTBKYDFALI-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.94
Rot. Bonds6

About 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole

5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole (PubChem CID 11057943) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole
PubChem CID11057943
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole
SMILESC=C(Cc1cc(OC)cc2nc(C)oc12)Cc1cc(OC)cc2nc(C)oc12
InChIInChI=1S/C22H22N2O4/c1-12(6-15-8-17(25-4)10-19-21(15)27-13(2)23-19)7-16-9-18(26-5)11-20-22(16)28-14(3)24-20/h8-11H,1,6-7H2,2-5H3
InChIKeyYLGUQTBKYDFALI-UHFFFAOYSA-N
XLogP4.94
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 101135064
5-methoxy-2-methyl-7-(4-methylphenyl)-1,3-benzoxazole
CID 131849037
7-ethyl-2-methyl-5-prop-1-en-2-yl-1,3-benzoxazole
CID 126700996
(5-methoxy-2-phenyl-1,3-benzoxazol-7-yl)methanol
CID 76851601
2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid
CID 83903209
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643
[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
CID 76851593
7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 50849295
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769
5-bromo-2-methyl-1,3-benzoxazol-7-ol
CID 125494330
(7-fluoro-5-methoxy-1,3-benzoxazol-2-yl)methyl acetate
CID 169162821

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole (CID 11057943) is 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole is C=C(Cc1cc(OC)cc2nc(C)oc12)Cc1cc(OC)cc2nc(C)oc12.
What is the InChIKey of 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole?
The InChIKey is YLGUQTBKYDFALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-12(6-15-8-17(25-4)10-19-21(15)27-13(2)23-19)7-16-9-18(26-5)11-20-22(16)28-14(3)24-20/h8-11H,1,6-7H2,2-5H3.
What are the key properties of 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole?
5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole has a molecular weight of 378.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-[2-[(5-methoxy-2-methyl-1,3-benzoxazol-7-yl)methyl]prop-2-enyl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 11057943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).