4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide

C13H16ClN5O3 — CID 86566857

IUPAC4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(CCOC)C(=O)n1nnn(-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C13H16ClN5O3/c1-3-17(7-8-22-2)12(20)19-13(21)18(15-16-19)11-6-4-5-10(14)9-11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyCDSRIGARAPTOOS-UHFFFAOYSA-N
MW325.76 g/mol
LogP1.02
Rot. Bonds5

About 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide

4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide (PubChem CID 86566857) has the molecular formula C13H16ClN5O3 and a molecular weight of 325.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide
PubChem CID86566857
Molecular FormulaC13H16ClN5O3
Molecular Weight325.76 g/mol
Exact Mass325.09
IUPAC Name4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(CCOC)C(=O)n1nnn(-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C13H16ClN5O3/c1-3-17(7-8-22-2)12(20)19-13(21)18(15-16-19)11-6-4-5-10(14)9-11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyCDSRIGARAPTOOS-UHFFFAOYSA-N
XLogP1.02
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide (CID 86566857) is 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide is CCN(CCOC)C(=O)n1nnn(-c2cccc(Cl)c2)c1=O.
What is the InChIKey of 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is CDSRIGARAPTOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O3/c1-3-17(7-8-22-2)12(20)19-13(21)18(15-16-19)11-6-4-5-10(14)9-11/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide?
4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 325.76 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 86566857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).