methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate

C13H16N2O6S — CID 166885362

IUPACmethyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate
SMILESCOc1ccc(CN(c2ncco2)S(=O)(=O)OC)c(OC)c1
InChIInChI=1S/C13H16N2O6S/c1-18-11-5-4-10(12(8-11)19-2)9-15(22(16,17)20-3)13-14-6-7-21-13/h4-8H,9H2,1-3H3
InChIKeyZSJKVVUUMXUVOY-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.59
Rot. Bonds7

About methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate

methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate (PubChem CID 166885362) has the molecular formula C13H16N2O6S and a molecular weight of 328.35 g/mol. Its IUPAC name is methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate.

Molecular Properties

Compound Namemethyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate
PubChem CID166885362
Molecular FormulaC13H16N2O6S
Molecular Weight328.35 g/mol
Exact Mass328.07
IUPAC Namemethyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate
SMILESCOc1ccc(CN(c2ncco2)S(=O)(=O)OC)c(OC)c1
InChIInChI=1S/C13H16N2O6S/c1-18-11-5-4-10(12(8-11)19-2)9-15(22(16,17)20-3)13-14-6-7-21-13/h4-8H,9H2,1-3H3
InChIKeyZSJKVVUUMXUVOY-UHFFFAOYSA-N
XLogP1.59
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-bromo-2-methoxycyclohexa-1,3-dien-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide
CID 166885537
N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 7937784
N-[(2,4-dimethoxyphenyl)methyl]-N-[4-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]methanesulfonamide
CID 166044550
(4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66574429
4-bromo-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfinamide
CID 178057473
1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine
CID 118869781
N-[(2,4-dimethoxyphenyl)methyl]-N-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]methanesulfonamide
CID 166044816
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide
CID 175393000
N-(3-bromophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 121005285
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 146421904

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate?
The IUPAC name of methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate (CID 166885362) is methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate.
What is the SMILES notation for methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate?
The canonical SMILES for methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate is COc1ccc(CN(c2ncco2)S(=O)(=O)OC)c(OC)c1.
What is the InChIKey of methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate?
The InChIKey is ZSJKVVUUMXUVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6S/c1-18-11-5-4-10(12(8-11)19-2)9-15(22(16,17)20-3)13-14-6-7-21-13/h4-8H,9H2,1-3H3.
What are the key properties of methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate?
methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate has a molecular weight of 328.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-oxazol-2-yl)sulfamate is sourced from PubChem (CID 166885362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).