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

C31H39N5O2 — CID 134513983

IUPAC[4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone
SMILESCc1ccc(CN2CCN(c3ccccc3C)CC2)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C)CC1
InChIInChI=1S/C31H39N5O2/c1-22-8-9-25(21-33-12-14-34(15-13-33)28-7-5-4-6-23(28)2)20-27(22)30(37)35-16-18-36(19-17-35)31-24(3)32-29(38-31)26-10-11-26/h4-9,20,26H,10-19,21H2,1-3H3
InChIKeyULSRRBXTUIHBNJ-UHFFFAOYSA-N
MW513.69 g/mol
LogP4.76
Rot. Bonds6

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

[4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone (PubChem CID 134513983) has the molecular formula C31H39N5O2 and a molecular weight of 513.69 g/mol. Its IUPAC name is [4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone
PubChem CID134513983
Molecular FormulaC31H39N5O2
Molecular Weight513.69 g/mol
Exact Mass513.31
IUPAC Name[4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone
SMILESCc1ccc(CN2CCN(c3ccccc3C)CC2)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C)CC1
InChIInChI=1S/C31H39N5O2/c1-22-8-9-25(21-33-12-14-34(15-13-33)28-7-5-4-6-23(28)2)20-27(22)30(37)35-16-18-36(19-17-35)31-24(3)32-29(38-31)26-10-11-26/h4-9,20,26H,10-19,21H2,1-3H3
InChIKeyULSRRBXTUIHBNJ-UHFFFAOYSA-N
XLogP4.76
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.69
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 134513916
[5-[[4-(3-chloro-4-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 134501439
2-[4-[[4-methyl-3-[4-(6-methyl-2-pyridinyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]piperazin-1-yl]benzonitrile
CID 134513682
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
[5-[[4-[2-(1-aminoethenyl)phenyl]piperazin-1-yl]methyl]-2,4-dimethylphenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 134514041
5-[4-[5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 134498871
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methylphenyl)piperazine
CID 4997131
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-2-methylbenzoyl chloride
CID 134500306
(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 100752948
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The IUPAC name of [4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone (CID 134513983) is [4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for [4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for [4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone is Cc1ccc(CN2CCN(c3ccccc3C)CC2)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C)CC1.
What is the InChIKey of [4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The InChIKey is ULSRRBXTUIHBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O2/c1-22-8-9-25(21-33-12-14-34(15-13-33)28-7-5-4-6-23(28)2)20-27(22)30(37)35-16-18-36(19-17-35)31-24(3)32-29(38-31)26-10-11-26/h4-9,20,26H,10-19,21H2,1-3H3.
What are the key properties of [4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone?
[4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone has a molecular weight of 513.69 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-[2-methyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 134513983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).