5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide

C22H25N4O2+ — CID 9118759

IUPAC5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1
InChIInChI=1S/C22H24N4O2/c1-16-20(24-22(28-16)17-8-4-3-5-9-17)21(27)23-18-10-6-7-11-19(18)26-14-12-25(2)13-15-26/h3-11H,12-15H2,1-2H3,(H,23,27)/p+1
InChIKeyKGRNIKBRLXVQQH-UHFFFAOYSA-O
MW377.47 g/mol
LogP2.24
Rot. Bonds4

About 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide

5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 9118759) has the molecular formula C22H25N4O2+ and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID9118759
Molecular FormulaC22H25N4O2+
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1
InChIInChI=1S/C22H24N4O2/c1-16-20(24-22(28-16)17-8-4-3-5-9-17)21(27)23-18-10-6-7-11-19(18)26-14-12-25(2)13-15-26/h3-11H,12-15H2,1-2H3,(H,23,27)/p+1
InChIKeyKGRNIKBRLXVQQH-UHFFFAOYSA-O
XLogP2.24
TPSA62.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide
CID 55817626
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5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 90882730
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 24525445
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 110650823
3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
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N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 38139634
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27259340
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 9118759) is 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1.
What is the InChIKey of 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is KGRNIKBRLXVQQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N4O2/c1-16-20(24-22(28-16)17-8-4-3-5-9-17)21(27)23-18-10-6-7-11-19(18)26-14-12-25(2)13-15-26/h3-11H,12-15H2,1-2H3,(H,23,27)/p+1.
What are the key properties of 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 9118759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).