methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate

C12H15N5O5 — CID 130318263

IUPACmethyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate
SMILESCOC(=O)NOCc1c(OC)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C12H15N5O5/c1-16-12(19)17(15-14-16)9-5-4-6-10(20-2)8(9)7-22-13-11(18)21-3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyGTFLSGKTJPYOAU-UHFFFAOYSA-N
MW309.28 g/mol
LogP-0.24
Rot. Bonds5

About methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate

methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate (PubChem CID 130318263) has the molecular formula C12H15N5O5 and a molecular weight of 309.28 g/mol. Its IUPAC name is methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate
PubChem CID130318263
Molecular FormulaC12H15N5O5
Molecular Weight309.28 g/mol
Exact Mass309.11
IUPAC Namemethyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate
SMILESCOC(=O)NOCc1c(OC)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C12H15N5O5/c1-16-12(19)17(15-14-16)9-5-4-6-10(20-2)8(9)7-22-13-11(18)21-3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyGTFLSGKTJPYOAU-UHFFFAOYSA-N
XLogP-0.24
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate
CID 130318574
1-[3-methoxy-2-(1,3,5-triazin-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707086
1-[2-[(butan-2-ylideneamino)oxymethyl]-3-methoxyphenyl]-4-methyltetrazol-5-one
CID 118459478
1-[3-methoxy-2-(pyridin-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707211
N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide
CID 130318560
N-[[2-ethynyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide
CID 118422289
N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide
CID 130318251
N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-nitrophenyl]methoxy]propanamide
CID 130318586
1-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]-3-methoxyphenyl]-4-methyltetrazol-5-one
CID 140694636
1-[3-methoxy-2-[[6-(4-methoxyphenyl)-2-pyridinyl]oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 118966113
1-[2-[[4-[(E)-3-(dimethylamino)prop-2-enoyl]-2-methylphenoxy]methyl]-3-methoxyphenyl]-4-methyltetrazol-5-one
CID 118236270
1-[3-methoxy-2-[[4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 172966878

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate?
The IUPAC name of methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate (CID 130318263) is methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate.
What is the SMILES notation for methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate?
The canonical SMILES for methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate is COC(=O)NOCc1c(OC)cccc1-n1nnn(C)c1=O.
What is the InChIKey of methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate?
The InChIKey is GTFLSGKTJPYOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O5/c1-16-12(19)17(15-14-16)9-5-4-6-10(20-2)8(9)7-22-13-11(18)21-3/h4-6H,7H2,1-3H3,(H,13,18).
What are the key properties of methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate?
methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate has a molecular weight of 309.28 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate is sourced from PubChem (CID 130318263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).