[6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone

C21H19NO5 — CID 22679088

IUPAC[6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3c(cc2Cc2nc(C)c(C)o2)OCO3)cc1
InChIInChI=1S/C21H19NO5/c1-12-13(2)27-20(22-12)9-15-8-18-19(26-11-25-18)10-17(15)21(23)14-4-6-16(24-3)7-5-14/h4-8,10H,9,11H2,1-3H3
InChIKeyXXWGDWGOBGFWIO-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.85
Rot. Bonds5

About [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone

[6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 22679088) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone
PubChem CID22679088
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name[6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc3c(cc2Cc2nc(C)c(C)o2)OCO3)cc1
InChIInChI=1S/C21H19NO5/c1-12-13(2)27-20(22-12)9-15-8-18-19(26-11-25-18)10-17(15)21(23)14-4-6-16(24-3)7-5-14/h4-8,10H,9,11H2,1-3H3
InChIKeyXXWGDWGOBGFWIO-UHFFFAOYSA-N
XLogP3.85
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

2-[6-(4-methylbenzoyl)-1,3-benzodioxol-5-yl]acetic acid
CID 22679082
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263
2-(6-benzoyl-1,3-benzodioxol-5-yl)-1-phenylethanone
CID 159306695
6-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106368817
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33076586
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
CID 43338385
2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)but-1-ene-1,4-dione
CID 89348583
methyl 6-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxylate
CID 625404
(4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone
CID 11003494
N'-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methoxybenzohydrazide
CID 43953308
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417

Frequently Asked Questions

What is the IUPAC name of [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone (CID 22679088) is [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc3c(cc2Cc2nc(C)c(C)o2)OCO3)cc1.
What is the InChIKey of [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is XXWGDWGOBGFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-12-13(2)27-20(22-12)9-15-8-18-19(26-11-25-18)10-17(15)21(23)14-4-6-16(24-3)7-5-14/h4-8,10H,9,11H2,1-3H3.
What are the key properties of [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone?
[6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone has a molecular weight of 365.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxol-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 22679088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).