ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate

C15H20N4O3 — CID 645292

IUPACethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C15H20N4O3/c1-4-21-14(20)9-19-17-15(16-18-19)12-5-7-13(8-6-12)22-10-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyGAZGIPCDICMYGM-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.94
Rot. Bonds7

About ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate

ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate (PubChem CID 645292) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate
PubChem CID645292
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C15H20N4O3/c1-4-21-14(20)9-19-17-15(16-18-19)12-5-7-13(8-6-12)22-10-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyGAZGIPCDICMYGM-UHFFFAOYSA-N
XLogP1.94
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
ethyl [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetate
CID 1504697
2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
CID 83535370
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
1-(3-Methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170934
2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic Acid
CID 7357333
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
(3R)-3-amino-4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 124193687
1-(4-Octylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-one
CID 153933308
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate (CID 645292) is ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate is CCOC(=O)Cn1nnc(-c2ccc(OCC(C)C)cc2)n1.
What is the InChIKey of ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate?
The InChIKey is GAZGIPCDICMYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-21-14(20)9-19-17-15(16-18-19)12-5-7-13(8-6-12)22-10-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate?
ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate has a molecular weight of 304.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetate is sourced from PubChem (CID 645292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).