N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

C22H22N4O3 — CID 110619649

IUPACN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CC1
InChIInChI=1S/C22H22N4O3/c1-25-11-13-26(14-12-25)22(28)17-7-9-18(10-8-17)23-21(27)19-15-20(29-24-19)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,23,27)
InChIKeyGLJOJHDKOFWCLH-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.98
Rot. Bonds4

About N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110619649) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110619649
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CC1
InChIInChI=1S/C22H22N4O3/c1-25-11-13-26(14-12-25)22(28)17-7-9-18(10-8-17)23-21(27)19-15-20(29-24-19)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,23,27)
InChIKeyGLJOJHDKOFWCLH-UHFFFAOYSA-N
XLogP2.98
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 117079357
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide
CID 117091590
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 55445915
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
N-[4-(furan-2-carbonylamino)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51327615
5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
CID 154876265
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90595310
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110609669

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 110619649) is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is CN1CCN(C(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is GLJOJHDKOFWCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25-11-13-26(14-12-25)22(28)17-7-9-18(10-8-17)23-21(27)19-15-20(29-24-19)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,23,27).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110619649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).