methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate

C19H16N2O6 — CID 150963171

IUPACmethyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccc(OCc3ccc4c(c3)OCO4)cc2)no1
InChIInChI=1S/C19H16N2O6/c1-23-19(22)20-18-9-15(21-27-18)13-3-5-14(6-4-13)24-10-12-2-7-16-17(8-12)26-11-25-16/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyLMNIZDKXWOJZIZ-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.83
Rot. Bonds5

About methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate

methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate (PubChem CID 150963171) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate
PubChem CID150963171
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Namemethyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccc(OCc3ccc4c(c3)OCO4)cc2)no1
InChIInChI=1S/C19H16N2O6/c1-23-19(22)20-18-9-15(21-27-18)13-3-5-14(6-4-13)24-10-12-2-7-16-17(8-12)26-11-25-16/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyLMNIZDKXWOJZIZ-UHFFFAOYSA-N
XLogP3.83
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-methyl-1,2,4-oxadiazole
CID 17436419
1-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 43285127
2-(1,3-benzodioxol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 45284628
ethyl 3-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
CID 39331926
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 7518932
1-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930187
(E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]prop-2-enamide
CID 170878016
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 22548193
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7517994
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
CID 18166105
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate?
The IUPAC name of methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate (CID 150963171) is methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate.
What is the SMILES notation for methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate?
The canonical SMILES for methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate is COC(=O)Nc1cc(-c2ccc(OCc3ccc4c(c3)OCO4)cc2)no1.
What is the InChIKey of methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate?
The InChIKey is LMNIZDKXWOJZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-23-19(22)20-18-9-15(21-27-18)13-3-5-14(6-4-13)24-10-12-2-7-16-17(8-12)26-11-25-16/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate?
methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate has a molecular weight of 368.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-1,2-oxazol-5-yl]carbamate is sourced from PubChem (CID 150963171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).