2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone

C21H22N4O2 — CID 120730344

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C21H22N4O2/c1-15-18(24-21(27-15)16-6-3-2-4-7-16)12-20(26)25-11-10-23-14-19(25)17-8-5-9-22-13-17/h2-9,13,19,23H,10-12,14H2,1H3
InChIKeyLTNPGKQKWDOHIV-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.76
Rot. Bonds4

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (PubChem CID 120730344) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
PubChem CID120730344
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C21H22N4O2/c1-15-18(24-21(27-15)16-6-3-2-4-7-16)12-20(26)25-11-10-23-14-19(25)17-8-5-9-22-13-17/h2-9,13,19,23H,10-12,14H2,1H3
InChIKeyLTNPGKQKWDOHIV-UHFFFAOYSA-N
XLogP2.76
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 120733766
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732156
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 120735490
1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 120728863
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
1-(2-pyridin-3-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 120729581
4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137047138
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
2-[benzyl(methyl)amino]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731815
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone (CID 120730344) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is Cc1oc(-c2ccccc2)nc1CC(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
The InChIKey is LTNPGKQKWDOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-18(24-21(27-15)16-6-3-2-4-7-16)12-20(26)25-11-10-23-14-19(25)17-8-5-9-22-13-17/h2-9,13,19,23H,10-12,14H2,1H3.
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120730344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).