1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone

C16H20N6O2 — CID 91777788

IUPAC1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone
SMILESO=C(C(c1ccccc1)n1cnnn1)N1CC(N2CCOCC2)C1
InChIInChI=1S/C16H20N6O2/c23-16(21-10-14(11-21)20-6-8-24-9-7-20)15(22-12-17-18-19-22)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2
InChIKeyKUWNMEPBXIGCEI-UHFFFAOYSA-N
MW328.38 g/mol
LogP-0.19
Rot. Bonds4

About 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone

1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone (PubChem CID 91777788) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone
PubChem CID91777788
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone
SMILESO=C(C(c1ccccc1)n1cnnn1)N1CC(N2CCOCC2)C1
InChIInChI=1S/C16H20N6O2/c23-16(21-10-14(11-21)20-6-8-24-9-7-20)15(22-12-17-18-19-22)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2
InChIKeyKUWNMEPBXIGCEI-UHFFFAOYSA-N
XLogP-0.19
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-phenyl-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 96558413
(2R)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 132992813
(2S)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 52996944
(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 97265525
2-(4-hydroxypiperidin-1-yl)-1-(3-morpholin-4-ylpyrrolidin-1-yl)-2-phenylethanone
CID 127361433
11-[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171152521
(2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 98760333
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 162630847
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-phenyl-2-(tetrazol-1-yl)acetate
CID 67901153
3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one
CID 72875141
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone (CID 91777788) is 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone is O=C(C(c1ccccc1)n1cnnn1)N1CC(N2CCOCC2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone?
The InChIKey is KUWNMEPBXIGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-16(21-10-14(11-21)20-6-8-24-9-7-20)15(22-12-17-18-19-22)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2.
What are the key properties of 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone?
1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone has a molecular weight of 328.38 g/mol, XLogP of -0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 91777788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).