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

C18H23N3O2 — CID 1247127

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O2/c1-14-17(15(2)23-19-14)18(22)21-12-10-20(11-13-21)9-8-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3
InChIKeyAMBUNUYQAOENHV-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.29
Rot. Bonds4

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 1247127) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID1247127
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O2/c1-14-17(15(2)23-19-14)18(22)21-12-10-20(11-13-21)9-8-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3
InChIKeyAMBUNUYQAOENHV-UHFFFAOYSA-N
XLogP2.29
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
2(1H)-Pyridinone, 5-(3,5-dimethyl-4-isoxazolyl)-1-(phenylmethyl)-
CID 76683643
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
Mls003170801
CID 332790
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[3,4-c][1,2]oxazol-6-yl]butan-1-one
CID 23645936
Cambridge id 5777587
CID 869900
N-(2-bromobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247401
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 1247127) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is AMBUNUYQAOENHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-17(15(2)23-19-14)18(22)21-12-10-20(11-13-21)9-8-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1247127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).