4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide

C16H15N5O2 — CID 934907

IUPAC4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide
SMILESCCc1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H15N5O2/c1-2-11-3-9-14(10-4-11)23-16-18-19-20-21(16)13-7-5-12(6-8-13)15(17)22/h3-10H,2H2,1H3,(H2,17,22)
InChIKeyCGBGJHDYDAOWDL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.12
Rot. Bonds5

About 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide

4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide (PubChem CID 934907) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide
PubChem CID934907
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide
SMILESCCc1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H15N5O2/c1-2-11-3-9-14(10-4-11)23-16-18-19-20-21(16)13-7-5-12(6-8-13)15(17)22/h3-10H,2H2,1H3,(H2,17,22)
InChIKeyCGBGJHDYDAOWDL-UHFFFAOYSA-N
XLogP2.12
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide (CID 934907) is 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide is CCc1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide?
The InChIKey is CGBGJHDYDAOWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-11-3-9-14(10-4-11)23-16-18-19-20-21(16)13-7-5-12(6-8-13)15(17)22/h3-10H,2H2,1H3,(H2,17,22).
What are the key properties of 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide?
4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenoxy)tetrazol-1-yl]benzamide is sourced from PubChem (CID 934907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).