2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide

C14H18FN5O3 — CID 121300602

IUPAC2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide
SMILESCn1nnn(-c2cc(C(C)(C)C)c(F)cc2OCC(N)=O)c1=O
InChIInChI=1S/C14H18FN5O3/c1-14(2,3)8-5-10(20-13(22)19(4)17-18-20)11(6-9(8)15)23-7-12(16)21/h5-6H,7H2,1-4H3,(H2,16,21)
InChIKeyOOAXYOMZXMJNNY-UHFFFAOYSA-N
MW323.33 g/mol
LogP0.27
Rot. Bonds4

About 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide

2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide (PubChem CID 121300602) has the molecular formula C14H18FN5O3 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide
PubChem CID121300602
Molecular FormulaC14H18FN5O3
Molecular Weight323.33 g/mol
Exact Mass323.14
IUPAC Name2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide
SMILESCn1nnn(-c2cc(C(C)(C)C)c(F)cc2OCC(N)=O)c1=O
InChIInChI=1S/C14H18FN5O3/c1-14(2,3)8-5-10(20-13(22)19(4)17-18-20)11(6-9(8)15)23-7-12(16)21/h5-6H,7H2,1-4H3,(H2,16,21)
InChIKeyOOAXYOMZXMJNNY-UHFFFAOYSA-N
XLogP0.27
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide (CID 121300602) is 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide is Cn1nnn(-c2cc(C(C)(C)C)c(F)cc2OCC(N)=O)c1=O.
What is the InChIKey of 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide?
The InChIKey is OOAXYOMZXMJNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O3/c1-14(2,3)8-5-10(20-13(22)19(4)17-18-20)11(6-9(8)15)23-7-12(16)21/h5-6H,7H2,1-4H3,(H2,16,21).
What are the key properties of 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide?
2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide has a molecular weight of 323.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 121300602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).