[4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate

C14H18ClN5O4 — CID 130221709

IUPAC[4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate
SMILESCCOCCN(CC)C(=O)On1nnn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H18ClN5O4/c1-3-18(9-10-23-4-2)14(22)24-20-13(21)19(16-17-20)12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAWWJGDOJQMCUHJ-UHFFFAOYSA-N
MW355.78 g/mol
LogP0.99
Rot. Bonds7

About [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate

[4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate (PubChem CID 130221709) has the molecular formula C14H18ClN5O4 and a molecular weight of 355.78 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate
PubChem CID130221709
Molecular FormulaC14H18ClN5O4
Molecular Weight355.78 g/mol
Exact Mass355.10
IUPAC Name[4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate
SMILESCCOCCN(CC)C(=O)On1nnn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H18ClN5O4/c1-3-18(9-10-23-4-2)14(22)24-20-13(21)19(16-17-20)12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAWWJGDOJQMCUHJ-UHFFFAOYSA-N
XLogP0.99
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 50.99
H-Bond Donors ≤ 50
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

Ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate
CID 16750844
Ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]propanoate
CID 44423708
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-ethyl-N-(2-methoxyethyl)carbamate
CID 130221143
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propan-2-ylcarbamate
CID 130221403
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-methylcarbamate
CID 130221705
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N,N-bis(2-methoxyethyl)carbamate
CID 130221763
[4-(3-fluorophenyl)-5-oxotetrazol-1-yl] N-(2-methoxyethyl)-N-propylcarbamate
CID 130221765
ethyl N-(N-carbamoyl-4-chloro-2-fluoroanilino)-N-propylcarbamate
CID 145798920
4-[3-(4-chlorophenyl)-5-methylidene-4H-triazol-4-yl]morpholine
CID 12636771
Ethyl 4-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]but-2-enoate
CID 1214932
N-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
CID 17760745
[4-(2-chlorophenyl)-5-oxotetrazol-1-yl] N-cyclohexyl-N-ethylcarbamate
CID 17911600

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate?
The IUPAC name of [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate (CID 130221709) is [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate.
What is the SMILES notation for [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate?
The canonical SMILES for [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate is CCOCCN(CC)C(=O)On1nnn(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate?
The InChIKey is AWWJGDOJQMCUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O4/c1-3-18(9-10-23-4-2)14(22)24-20-13(21)19(16-17-20)12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate?
[4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate has a molecular weight of 355.78 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-5-oxotetrazol-1-yl] N-(2-ethoxyethyl)-N-ethylcarbamate is sourced from PubChem (CID 130221709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).