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

C19H18N6O4 — CID 1251073

IUPAC4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N6O4/c20-17(26)13-5-7-14(8-6-13)25-19(21-22-23-25)29-16-4-2-1-3-15(16)18(27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,20,26)
InChIKeyIJSMKAZQNPLDQU-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.03
Rot. Bonds5

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

4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide (PubChem CID 1251073) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide
PubChem CID1251073
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N6O4/c20-17(26)13-5-7-14(8-6-13)25-19(21-22-23-25)29-16-4-2-1-3-15(16)18(27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,20,26)
InChIKeyIJSMKAZQNPLDQU-UHFFFAOYSA-N
XLogP1.03
TPSA125.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-{2-[(1-phenyl-1H-tetrazol-5-yl)oxy]benzoyl}morpholine
CID 1295214
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
4-(5-phenoxy-1H-tetrazol-1-yl)benzamide
CID 1253744
4-{5-[2-(4-morpholinylcarbonyl)phenoxy]-1H-tetrazol-1-yl}benzoic acid
CID 1402846
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 4804274
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2-methoxybenzamide
CID 7216964
methyl 1-[[4-[4-(tetrazol-1-yl)benzoyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate
CID 42362926
N-(2-methoxyphenyl)-4-(1H-tetraazol-1-yl)benzamide
CID 777207
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665566
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 25500885
4-oxo-N-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)-4H-chromene-2-carboxamide
CID 18565652
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide
CID 4851124

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide (CID 1251073) is 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide?
The InChIKey is IJSMKAZQNPLDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c20-17(26)13-5-7-14(8-6-13)25-19(21-22-23-25)29-16-4-2-1-3-15(16)18(27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,20,26).
What are the key properties of 4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide?
4-[5-[2-(morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzamide has a molecular weight of 394.39 g/mol, XLogP of 1.03, 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]benzamide is sourced from PubChem (CID 1251073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).