N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide

C10H11N5O2 — CID 101078575

IUPACN-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2nnn(C)n2)cc1
InChIInChI=1S/C10H11N5O2/c1-7(16)11-8-3-5-9(6-4-8)17-10-12-14-15(2)13-10/h3-6H,1-2H3,(H,11,16)
InChIKeySNPZFVUWORFMSQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.96
Rot. Bonds3

About N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide

N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide (PubChem CID 101078575) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide
PubChem CID101078575
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2nnn(C)n2)cc1
InChIInChI=1S/C10H11N5O2/c1-7(16)11-8-3-5-9(6-4-8)17-10-12-14-15(2)13-10/h3-6H,1-2H3,(H,11,16)
InChIKeySNPZFVUWORFMSQ-UHFFFAOYSA-N
XLogP0.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide?
The IUPAC name of N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide (CID 101078575) is N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2nnn(C)n2)cc1.
What is the InChIKey of N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide?
The InChIKey is SNPZFVUWORFMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7(16)11-8-3-5-9(6-4-8)17-10-12-14-15(2)13-10/h3-6H,1-2H3,(H,11,16).
What are the key properties of N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide?
N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide has a molecular weight of 233.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyltetrazol-5-yl)oxyphenyl]acetamide is sourced from PubChem (CID 101078575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).