5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole

C21H20N2O4 — CID 10937379

IUPAC5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2ccc3ccn(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-23-8-7-13-5-6-14(9-16(13)23)20-19(22-12-27-20)15-10-17(24-2)21(26-4)18(11-15)25-3/h5-12H,1-4H3
InChIKeyULACDIBWFAOBML-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.53
Rot. Bonds5

About 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole

5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (PubChem CID 10937379) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
PubChem CID10937379
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2ccc3ccn(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O4/c1-23-8-7-13-5-6-14(9-16(13)23)20-19(22-12-27-20)15-10-17(24-2)21(26-4)18(11-15)25-3/h5-12H,1-4H3
InChIKeyULACDIBWFAOBML-UHFFFAOYSA-N
XLogP4.53
TPSA58.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]indole
CID 175429008
4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline
CID 118373092
5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 141261437
4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole
CID 71766618
3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91549721
4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
CID 21408543
1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine
CID 70718302
1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(1-methylindol-6-yl)-2-pyridinyl]butane-1,4-dione
CID 167687350
5-(3,4-dimethoxyphenyl)-4-phenyl-1,3-oxazole;2-sulfanylpropanoic acid
CID 21409057
5,6,7-trimethoxy-1-methylindole
CID 141308126
4-(3-bromo-5-methoxy-4-methylsulfanylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole
CID 71766036
1-methyl-6-(2-methylpyrimidin-4-yl)indole
CID 175860551

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (CID 10937379) is 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is COc1cc(-c2ncoc2-c2ccc3ccn(C)c3c2)cc(OC)c1OC.
What is the InChIKey of 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The InChIKey is ULACDIBWFAOBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-23-8-7-13-5-6-14(9-16(13)23)20-19(22-12-27-20)15-10-17(24-2)21(26-4)18(11-15)25-3/h5-12H,1-4H3.
What are the key properties of 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole has a molecular weight of 364.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 10937379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).