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

C20H24N4O3 — CID 55862172

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
SMILESCc1noc(C)c1CN1CCN(C(=O)C2=NOC(c3ccccc3)C2)CC1
InChIInChI=1S/C20H24N4O3/c1-14-17(15(2)26-21-14)13-23-8-10-24(11-9-23)20(25)18-12-19(27-22-18)16-6-4-3-5-7-16/h3-7,19H,8-13H2,1-2H3
InChIKeyHNLKYKKVOXZKAU-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.45
Rot. Bonds4

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

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone (PubChem CID 55862172) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
PubChem CID55862172
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
SMILESCc1noc(C)c1CN1CCN(C(=O)C2=NOC(c3ccccc3)C2)CC1
InChIInChI=1S/C20H24N4O3/c1-14-17(15(2)26-21-14)13-23-8-10-24(11-9-23)20(25)18-12-19(27-22-18)16-6-4-3-5-7-16/h3-7,19H,8-13H2,1-2H3
InChIKeyHNLKYKKVOXZKAU-UHFFFAOYSA-N
XLogP2.45
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 35252936
(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 94609056
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 60508151
(E)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 71782735
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 71782689
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-phenylcyclopropyl)methanone
CID 75527459
[2-(difluoromethoxy)phenyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55544136
N-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 46427382
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
CID 71782744

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone (CID 55862172) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone is Cc1noc(C)c1CN1CCN(C(=O)C2=NOC(c3ccccc3)C2)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
The InChIKey is HNLKYKKVOXZKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-17(15(2)26-21-14)13-23-8-10-24(11-9-23)20(25)18-12-19(27-22-18)16-6-4-3-5-7-16/h3-7,19H,8-13H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 55862172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).