2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride

C18H25ClN4O2 — CID 119915157

IUPAC2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCc1ccc(-c2nc(CN(C)CC(=O)N3CCNCC3)co2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14-3-5-15(6-4-14)18-20-16(13-24-18)11-21(2)12-17(23)22-9-7-19-8-10-22;/h3-6,13,19H,7-12H2,1-2H3;1H
InChIKeyBPKIFUJQRVPROW-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.94
Rot. Bonds5

About 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride

2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915157) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915157
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCc1ccc(-c2nc(CN(C)CC(=O)N3CCNCC3)co2)cc1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14-3-5-15(6-4-14)18-20-16(13-24-18)11-21(2)12-17(23)22-9-7-19-8-10-22;/h3-6,13,19H,7-12H2,1-2H3;1H
InChIKeyBPKIFUJQRVPROW-UHFFFAOYSA-N
XLogP1.94
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915157) is 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride is Cc1ccc(-c2nc(CN(C)CC(=O)N3CCNCC3)co2)cc1.Cl.
What is the InChIKey of 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is BPKIFUJQRVPROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-14-3-5-15(6-4-14)18-20-16(13-24-18)11-21(2)12-17(23)22-9-7-19-8-10-22;/h3-6,13,19H,7-12H2,1-2H3;1H.
What are the key properties of 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).