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

C16H15N5O4 — CID 1252336

IUPAC4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide
SMILESCOc1cc(CO)ccc1Oc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15N5O4/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/h2-8,22H,9H2,1H3,(H2,17,23)
InChIKeyDEACRDDAKVHBKV-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.05
Rot. Bonds6

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

4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide (PubChem CID 1252336) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide
PubChem CID1252336
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Name4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide
SMILESCOc1cc(CO)ccc1Oc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15N5O4/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/h2-8,22H,9H2,1H3,(H2,17,23)
InChIKeyDEACRDDAKVHBKV-UHFFFAOYSA-N
XLogP1.05
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-(4-ethylphenoxy)-1H-tetrazol-1-yl]benzamide
CID 934907
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-(2-methoxyphenoxy)-1H-tetrazol-1-yl]benzamide
CID 935238
4-(5-phenoxy-1H-tetrazol-1-yl)benzamide
CID 1253744
4-[5-(4-formyl-2-methoxyphenoxy)-1H-tetrazol-1-yl]benzamide
CID 974757
(E)-1-(2-methoxyphenyl)-3-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]prop-2-en-1-one
CID 155521559
(E)-3-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]-1-(4-methylphenyl)prop-2-en-1-one
CID 155534262
(E)-1-(4-fluorophenyl)-3-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]prop-2-en-1-one
CID 155552951
(E)-1-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]prop-2-en-1-one
CID 155561156
(E)-3-[4-(difluoromethoxy)-3-hydroxyphenyl]-1-[4-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 155562436

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide (CID 1252336) is 4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide is COc1cc(CO)ccc1Oc1nnnn1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide?
The InChIKey is DEACRDDAKVHBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/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/h2-8,22H,9H2,1H3,(H2,17,23).
What are the key properties of 4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide?
4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide has a molecular weight of 341.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]tetrazol-1-yl]benzamide is sourced from PubChem (CID 1252336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).