[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate

C11H12FN5O4 — CID 130220779

IUPAC[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)On1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C11H12FN5O4/c1-20-6-5-13-10(18)21-17-11(19)16(14-15-17)9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,18)
InChIKeyWSRCQIRFMJTKJM-UHFFFAOYSA-N
MW297.25 g/mol
LogP-0.65
Rot. Bonds5

About [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate

[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate (PubChem CID 130220779) has the molecular formula C11H12FN5O4 and a molecular weight of 297.25 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate
PubChem CID130220779
Molecular FormulaC11H12FN5O4
Molecular Weight297.25 g/mol
Exact Mass297.09
IUPAC Name[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)On1nnn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C11H12FN5O4/c1-20-6-5-13-10(18)21-17-11(19)16(14-15-17)9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,18)
InChIKeyWSRCQIRFMJTKJM-UHFFFAOYSA-N
XLogP-0.65
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

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Related Compounds

[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-methyl-N-pyridin-2-ylcarbamate
CID 130221153
4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
CID 130242142
4-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835986
3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 24715175
1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
CID 3244293
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 3945294
1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidine-1-carbonyl]tetrazol-5-one
CID 86567734
methyl 1-(3-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 94068963
methyl 5-ethyl-1-(3-fluorophenyl)triazole-4-carboxylate
CID 94068964
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)triazole-4-carboxamide
CID 119502155
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate?
The IUPAC name of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate (CID 130220779) is [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate.
What is the SMILES notation for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate?
The canonical SMILES for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate is COCCNC(=O)On1nnn(-c2cccc(F)c2)c1=O.
What is the InChIKey of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate?
The InChIKey is WSRCQIRFMJTKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O4/c1-20-6-5-13-10(18)21-17-11(19)16(14-15-17)9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,18).
What are the key properties of [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate?
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate has a molecular weight of 297.25 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 130220779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).