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

C20H25N3O2 — CID 56818470

IUPAC[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
SMILESCc1cccc(C2(C(=O)N3CCN(Cc4cc(C)no4)CC3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-15-4-3-5-17(12-15)20(6-7-20)19(24)23-10-8-22(9-11-23)14-18-13-16(2)21-25-18/h3-5,12-13H,6-11,14H2,1-2H3
InChIKeyATJBUWZGCBAJME-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.67
Rot. Bonds4

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

[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone (PubChem CID 56818470) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
PubChem CID56818470
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
SMILESCc1cccc(C2(C(=O)N3CCN(Cc4cc(C)no4)CC3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-15-4-3-5-17(12-15)20(6-7-20)19(24)23-10-8-22(9-11-23)14-18-13-16(2)21-25-18/h3-5,12-13H,6-11,14H2,1-2H3
InChIKeyATJBUWZGCBAJME-UHFFFAOYSA-N
XLogP2.67
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]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

[1-(4-chlorophenyl)cyclopentyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269642
[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56818478
(1-methylcyclopentyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134039040
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 134063478
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
(3-aminophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119399318
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 134048136
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
2-(2-chlorophenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 56810432

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone (CID 56818470) is [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone is Cc1cccc(C2(C(=O)N3CCN(Cc4cc(C)no4)CC3)CC2)c1.
What is the InChIKey of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
The InChIKey is ATJBUWZGCBAJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-4-3-5-17(12-15)20(6-7-20)19(24)23-10-8-22(9-11-23)14-18-13-16(2)21-25-18/h3-5,12-13H,6-11,14H2,1-2H3.
What are the key properties of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 56818470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).