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

C22H24N4O2 — CID 110650836

IUPAC5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2oncc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-3-5-17(6-4-16)21-20(15-23-28-21)22(27)24-18-7-9-19(10-8-18)26-13-11-25(2)12-14-26/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyVOKQRXJNMGZSPK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.65
Rot. Bonds4

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

5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 110650836) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID110650836
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2oncc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H24N4O2/c1-16-3-5-17(6-4-16)21-20(15-23-28-21)22(27)24-18-7-9-19(10-8-18)26-13-11-25(2)12-14-26/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyVOKQRXJNMGZSPK-UHFFFAOYSA-N
XLogP3.65
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110650762
2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113198136
5-hydroxy-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(4-methylphenyl)benzamide;methane
CID 157128108
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
1-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108899107
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea
CID 108814112
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110862459
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide (CID 110650836) is 5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide is Cc1ccc(-c2oncc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VOKQRXJNMGZSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-3-5-17(6-4-16)21-20(15-23-28-21)22(27)24-18-7-9-19(10-8-18)26-13-11-25(2)12-14-26/h3-10,15H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110650836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).