morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone

C18H17N5O3 — CID 1295214

IUPACmorpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone
SMILESO=C(c1ccccc1Oc1nnnn1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H17N5O3/c24-17(22-10-12-25-13-11-22)15-8-4-5-9-16(15)26-18-19-20-21-23(18)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyXWBMVCYLEDWDBM-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.93
Rot. Bonds4

About morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone

morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone (PubChem CID 1295214) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone
PubChem CID1295214
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Namemorpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone
SMILESO=C(c1ccccc1Oc1nnnn1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H17N5O3/c24-17(22-10-12-25-13-11-22)15-8-4-5-9-16(15)26-18-19-20-21-23(18)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyXWBMVCYLEDWDBM-UHFFFAOYSA-N
XLogP1.93
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 707927
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CID 1251073
4-[5-[2-(Morpholine-4-carbonyl)phenoxy]tetrazol-1-yl]benzoic acid
CID 1402846
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 4804274
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 40020037
(E)-1-phenyl-3-[2-(1-phenyltetrazol-5-yl)oxyphenyl]prop-2-en-1-one
CID 155510819
4-oxo-N-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)-4H-chromene-2-carboxamide
CID 18565652
1-(4-Methoxybenzoyl)-3-(1-phenyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 124043316
1-(2-Methoxybenzoyl)-4-[(4-phenyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 124072704
(2,3-dimethoxyphenyl)(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)methanone
CID 30857885
2-(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazine-1-carbonyl)-4H-chromen-4-one
CID 30857965
(2-ethoxyphenyl)(4-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)methanone
CID 30857995

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone?
The IUPAC name of morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone (CID 1295214) is morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone is O=C(c1ccccc1Oc1nnnn1-c1ccccc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone?
The InChIKey is XWBMVCYLEDWDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-17(22-10-12-25-13-11-22)15-8-4-5-9-16(15)26-18-19-20-21-23(18)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone?
morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone has a molecular weight of 351.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(1-phenyltetrazol-5-yl)oxyphenyl]methanone is sourced from PubChem (CID 1295214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).