(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

C19H23N3O3 — CID 127810988

IUPAC(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)COC1
InChIInChI=1S/C19H23N3O3/c1-19(13-24-14-19)18(23)22-9-7-21(8-10-22)12-17-20-11-16(25-17)15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3
InChIKeyODDDBECUHIUYOH-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.02
Rot. Bonds4

About (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 127810988) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID127810988
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)COC1
InChIInChI=1S/C19H23N3O3/c1-19(13-24-14-19)18(23)22-9-7-21(8-10-22)12-17-20-11-16(25-17)15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3
InChIKeyODDDBECUHIUYOH-UHFFFAOYSA-N
XLogP2.02
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 119882175
2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882152
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 18088526
2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119882198
(4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119882164
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 127808808
5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903258
5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 18167942
5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 8748084
2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 138004669
2,6-dimethyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 51072746

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone (CID 127810988) is (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone is CC1(C(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is ODDDBECUHIUYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(13-24-14-19)18(23)22-9-7-21(8-10-22)12-17-20-11-16(25-17)15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3.
What are the key properties of (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone?
(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 127810988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).