(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

C20H21N3O3 — CID 110616585

IUPAC(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESCC1CN(C(=O)c2cc(-c3ccco3)on2)CC(C)N1c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-14-12-22(13-15(2)23(14)16-7-4-3-5-8-16)20(24)17-11-19(26-21-17)18-9-6-10-25-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyUSAPUBDVIUQNQI-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.67
Rot. Bonds3

About (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 110616585) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
PubChem CID110616585
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESCC1CN(C(=O)c2cc(-c3ccco3)on2)CC(C)N1c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-14-12-22(13-15(2)23(14)16-7-4-3-5-8-16)20(24)17-11-19(26-21-17)18-9-6-10-25-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyUSAPUBDVIUQNQI-UHFFFAOYSA-N
XLogP3.67
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934747
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90584854
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90594863
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
CID 66083527
(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (CID 110616585) is (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is CC1CN(C(=O)c2cc(-c3ccco3)on2)CC(C)N1c1ccccc1.
What is the InChIKey of (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is USAPUBDVIUQNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-12-22(13-15(2)23(14)16-7-4-3-5-8-16)20(24)17-11-19(26-21-17)18-9-6-10-25-18/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 110616585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).