4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide

C15H13N5O3 — CID 935238

IUPAC4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide
SMILESCOc1ccccc1Oc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H13N5O3/c1-22-12-4-2-3-5-13(12)23-15-17-18-19-20(15)11-8-6-10(7-9-11)14(16)21/h2-9H,1H3,(H2,16,21)
InChIKeyKTKDRJBGFJBJQY-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.56
Rot. Bonds5

About 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide

4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide (PubChem CID 935238) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide
PubChem CID935238
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide
SMILESCOc1ccccc1Oc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H13N5O3/c1-22-12-4-2-3-5-13(12)23-15-17-18-19-20(15)11-8-6-10(7-9-11)14(16)21/h2-9H,1H3,(H2,16,21)
InChIKeyKTKDRJBGFJBJQY-UHFFFAOYSA-N
XLogP1.56
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
4-[5-(4-ethylphenoxy)-1H-tetrazol-1-yl]benzamide
CID 934907
3-methoxy-4-((1-phenyl-1H-tetrazol-5-yl)oxy)benzaldehyde
CID 398233
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-Methoxy-phenyl)-3-tetrazol-1-yl-benzamide
CID 644455
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-methoxybenzamide
CID 707927
4-{5-[2-methoxy-4-(1-propen-1-yl)phenoxy]-1H-tetrazol-1-yl}benzamide
CID 979756
4-{5-[2-methoxy-4-(1-propen-1-yl)phenoxy]-1H-tetrazol-1-yl}benzoic acid
CID 1242030
4-{5-[4-(hydroxymethyl)-2-methoxyphenoxy]-1H-tetrazol-1-yl}benzamide
CID 1252336
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 9684496
4-(5-phenoxy-1H-tetrazol-1-yl)benzamide
CID 1253744
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methoxybenzamide
CID 930814

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide (CID 935238) is 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide is COc1ccccc1Oc1nnnn1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide?
The InChIKey is KTKDRJBGFJBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-22-12-4-2-3-5-13(12)23-15-17-18-19-20(15)11-8-6-10(7-9-11)14(16)21/h2-9H,1H3,(H2,16,21).
What are the key properties of 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide?
4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide has a molecular weight of 311.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenoxy)tetrazol-1-yl]benzamide is sourced from PubChem (CID 935238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).