N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide

C17H22N4O2 — CID 136532249

IUPACN-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN1CCN(c2cccc(NC(=O)c3ncoc3C)c2)CC1
InChIInChI=1S/C17H22N4O2/c1-3-20-7-9-21(10-8-20)15-6-4-5-14(11-15)19-17(22)16-13(2)23-12-18-16/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,22)
InChIKeyOLIZBWIGOGMGBA-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.38
Rot. Bonds4

About N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 136532249) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID136532249
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN1CCN(c2cccc(NC(=O)c3ncoc3C)c2)CC1
InChIInChI=1S/C17H22N4O2/c1-3-20-7-9-21(10-8-20)15-6-4-5-14(11-15)19-17(22)16-13(2)23-12-18-16/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,22)
InChIKeyOLIZBWIGOGMGBA-UHFFFAOYSA-N
XLogP2.38
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 155955616
N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668
N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208641
N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
CID 6489765
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
CID 99834710
N-[3-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
CID 119045554
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
CID 71043377
CID 71043377

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 136532249) is N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide is CCN1CCN(c2cccc(NC(=O)c3ncoc3C)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is OLIZBWIGOGMGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-20-7-9-21(10-8-20)15-6-4-5-14(11-15)19-17(22)16-13(2)23-12-18-16/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 136532249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).