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

C16H13N5O4 — CID 974757

IUPAC4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide
SMILESCOc1cc(C=O)ccc1Oc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H13N5O4/c1-24-14-8-10(9-22)2-7-13(14)25-16-18-19-20-21(16)12-5-3-11(4-6-12)15(17)23/h2-9H,1H3,(H2,17,23)
InChIKeyJSSXCBNNXADHAQ-UHFFFAOYSA-N
MW339.31 g/mol
LogP1.37
Rot. Bonds6

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

4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide (PubChem CID 974757) has the molecular formula C16H13N5O4 and a molecular weight of 339.31 g/mol. Its IUPAC name is 4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide
PubChem CID974757
Molecular FormulaC16H13N5O4
Molecular Weight339.31 g/mol
Exact Mass339.10
IUPAC Name4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide
SMILESCOc1cc(C=O)ccc1Oc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H13N5O4/c1-24-14-8-10(9-22)2-7-13(14)25-16-18-19-20-21(16)12-5-3-11(4-6-12)15(17)23/h2-9H,1H3,(H2,17,23)
InChIKeyJSSXCBNNXADHAQ-UHFFFAOYSA-N
XLogP1.37
TPSA122.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[5-Amino-3-(4-methylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708605
4-[5-(4-ethylphenoxy)-1H-tetrazol-1-yl]benzamide
CID 934907
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide
CID 665789
3-methoxy-4-((1-phenyl-1H-tetrazol-5-yl)oxy)benzaldehyde
CID 398233
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
1-(3,4-Dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 2617712
4-butoxy-3-methoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 8035452
4-[5-(2-methoxyphenoxy)-1H-tetrazol-1-yl]benzamide
CID 935238
4-(5-phenoxy-1H-tetrazol-1-yl)benzamide
CID 1253744
1-(3,4-dimethoxybenzoyl)-4-(1-phenyl-1H-tetrazol-5-yl)piperazine
CID 1242876

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide (CID 974757) is 4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide is COc1cc(C=O)ccc1Oc1nnnn1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide?
The InChIKey is JSSXCBNNXADHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4/c1-24-14-8-10(9-22)2-7-13(14)25-16-18-19-20-21(16)12-5-3-11(4-6-12)15(17)23/h2-9H,1H3,(H2,17,23).
What are the key properties of 4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide?
4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide has a molecular weight of 339.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-formyl-2-methoxyphenoxy)tetrazol-1-yl]benzamide is sourced from PubChem (CID 974757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).