4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid

C19H17N5O5 — CID 1402846

IUPAC4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H17N5O5/c25-17(23-9-11-28-12-10-23)15-3-1-2-4-16(15)29-19-20-21-22-24(19)14-7-5-13(6-8-14)18(26)27/h1-8H,9-12H2,(H,26,27)
InChIKeyOQIDETUZZNAAHN-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.63
Rot. Bonds5

About 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid

4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid (PubChem CID 1402846) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid
PubChem CID1402846
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H17N5O5/c25-17(23-9-11-28-12-10-23)15-3-1-2-4-16(15)29-19-20-21-22-24(19)14-7-5-13(6-8-14)18(26)27/h1-8H,9-12H2,(H,26,27)
InChIKeyOQIDETUZZNAAHN-UHFFFAOYSA-N
XLogP1.63
TPSA119.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid?
The IUPAC name of 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid (CID 1402846) is 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid is O=C(O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid?
The InChIKey is OQIDETUZZNAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c25-17(23-9-11-28-12-10-23)15-3-1-2-4-16(15)29-19-20-21-22-24(19)14-7-5-13(6-8-14)18(26)27/h1-8H,9-12H2,(H,26,27).
What are the key properties of 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid?
4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid has a molecular weight of 395.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid is sourced from PubChem (CID 1402846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).