[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone

C25H29N3O2 — CID 45173268

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(CC(C)c4ccccc4)no3)CC2)c1C
InChIInChI=1S/C25H29N3O2/c1-18-8-7-11-23(20(18)3)27-12-14-28(15-13-27)25(29)24-17-22(26-30-24)16-19(2)21-9-5-4-6-10-21/h4-11,17,19H,12-16H2,1-3H3
InChIKeyJCGGVIMDUDKBDS-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.60
Rot. Bonds5

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone (PubChem CID 45173268) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone
PubChem CID45173268
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(CC(C)c4ccccc4)no3)CC2)c1C
InChIInChI=1S/C25H29N3O2/c1-18-8-7-11-23(20(18)3)27-12-14-28(15-13-27)25(29)24-17-22(26-30-24)16-19(2)21-9-5-4-6-10-21/h4-11,17,19H,12-16H2,1-3H3
InChIKeyJCGGVIMDUDKBDS-UHFFFAOYSA-N
XLogP4.60
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone with MolForge

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(2S)-2-phenylpropyl]-1,2-oxazol-5-yl]methanone
CID 42418575
3-[4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]benzoic acid
CID 72839502
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 4631912
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109004303
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
3-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62728459
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27259340
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065
N-butyl-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
CID 118754022

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone (CID 45173268) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cc(CC(C)c4ccccc4)no3)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is JCGGVIMDUDKBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-8-7-11-23(20(18)3)27-12-14-28(15-13-27)25(29)24-17-22(26-30-24)16-19(2)21-9-5-4-6-10-21/h4-11,17,19H,12-16H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 403.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(2-phenylpropyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 45173268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).