(1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate

C17H15N5O4 — CID 38910486

IUPAC(1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate
SMILESNC(=O)COc1ccccc1C(=O)OCc1nnnn1-c1ccccc1
InChIInChI=1S/C17H15N5O4/c18-15(23)10-25-14-9-5-4-8-13(14)17(24)26-11-16-19-20-21-22(16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,23)
InChIKeyURFKJNKWESLNLE-UHFFFAOYSA-N
MW353.34 g/mol
LogP0.88
Rot. Bonds7

About (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate

(1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate (PubChem CID 38910486) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate
PubChem CID38910486
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC Name(1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate
SMILESNC(=O)COc1ccccc1C(=O)OCc1nnnn1-c1ccccc1
InChIInChI=1S/C17H15N5O4/c18-15(23)10-25-14-9-5-4-8-13(14)17(24)26-11-16-19-20-21-22(16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,23)
InChIKeyURFKJNKWESLNLE-UHFFFAOYSA-N
XLogP0.88
TPSA122.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1-phenyltetrazol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 27695483
(2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55444267
(1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate
CID 60602109
(1-phenyltetrazol-5-yl)methyl thieno[3,2-b][1]benzothiole-2-carboxylate
CID 24501181
(1-phenyltetrazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 39967260
(1-phenyltetrazol-5-yl)methyl 3-nitrobenzoate
CID 27687882
(1-cyclopropyltetrazol-5-yl)methyl 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 55552184
(1-phenyltetrazol-5-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 27721163
(1-phenyltetrazol-5-yl)methyl 3-chloro-5-ethoxy-4-propoxybenzoate
CID 39967249
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46641122
(1-phenyltetrazol-5-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate
CID 18199317
(1-phenyltetrazol-5-yl)methyl 3-(4-fluorophenyl)butanoate
CID 60541543

Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate (CID 38910486) is (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate is NC(=O)COc1ccccc1C(=O)OCc1nnnn1-c1ccccc1.
What is the InChIKey of (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is URFKJNKWESLNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c18-15(23)10-25-14-9-5-4-8-13(14)17(24)26-11-16-19-20-21-22(16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,23).
What are the key properties of (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate?
(1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 353.34 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 38910486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).