4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole

C19H15N3O4 — CID 141302144

IUPAC4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole
SMILESCOc1cc(-c2oncc2-c2ccc3c(ccn3C)c2)cc2c1ONO2
InChIInChI=1S/C19H15N3O4/c1-22-6-5-12-7-11(3-4-15(12)22)14-10-20-25-18(14)13-8-16(23-2)19-17(9-13)24-21-26-19/h3-10,21H,1-2H3
InChIKeyRMPOUVQJIIEGET-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.70
Rot. Bonds3

About 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole

4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole (PubChem CID 141302144) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole.

Molecular Properties

Compound Name4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole
PubChem CID141302144
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole
SMILESCOc1cc(-c2oncc2-c2ccc3c(ccn3C)c2)cc2c1ONO2
InChIInChI=1S/C19H15N3O4/c1-22-6-5-12-7-11(3-4-15(12)22)14-10-20-25-18(14)13-8-16(23-2)19-17(9-13)24-21-26-19/h3-10,21H,1-2H3
InChIKeyRMPOUVQJIIEGET-UHFFFAOYSA-N
XLogP3.70
TPSA70.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole
CID 141302188
3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91549721
5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
CID 58178317
4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
CID 58712172
5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole
CID 58178077
5-(5-methoxypyrimidin-2-yl)-1-methylindole
CID 137376147
4-methoxy-3-(1-methylindol-5-yl)benzoic acid
CID 82039901
1-methyl-5-(1H-pyrazol-4-yl)indole
CID 145005318
disodium;[2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]sulfanyl-dioxido-oxo-λ5-phosphane
CID 157462411
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229
5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole
CID 58178270
5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole
CID 58178258

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole?
The IUPAC name of 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole (CID 141302144) is 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole.
What is the SMILES notation for 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole?
The canonical SMILES for 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole is COc1cc(-c2oncc2-c2ccc3c(ccn3C)c2)cc2c1ONO2.
What is the InChIKey of 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole?
The InChIKey is RMPOUVQJIIEGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-22-6-5-12-7-11(3-4-15(12)22)14-10-20-25-18(14)13-8-16(23-2)19-17(9-13)24-21-26-19/h3-10,21H,1-2H3.
What are the key properties of 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole?
4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole has a molecular weight of 349.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-(1-methylindol-5-yl)-1,2-oxazol-5-yl]-1,3,2-benzodioxazole is sourced from PubChem (CID 141302144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).