1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone

C18H23N3O2 — CID 110680052

IUPAC1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
SMILESCc1nc(C)c(CC(=O)N2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H23N3O2/c1-14-17(23-15(2)19-14)12-18(22)21-10-8-20(9-11-21)13-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3
InChIKeyJWAQQUKNLQKAMS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.18
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone (PubChem CID 110680052) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
PubChem CID110680052
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
SMILESCc1nc(C)c(CC(=O)N2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H23N3O2/c1-14-17(23-15(2)19-14)12-18(22)21-10-8-20(9-11-21)13-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3
InChIKeyJWAQQUKNLQKAMS-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
CID 110680042
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
(4-benzylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110765233
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-(4-benzylpiperazin-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110773664
1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 154802265
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1-(4-benzylpiperazin-1-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768949
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylpyrazol-1-yl)ethanone
CID 19289275
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 154866413
1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 84565909

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone (CID 110680052) is 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone is Cc1nc(C)c(CC(=O)N2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone?
The InChIKey is JWAQQUKNLQKAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-17(23-15(2)19-14)12-18(22)21-10-8-20(9-11-21)13-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 110680052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).