N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide

C21H22N4O4 — CID 13011275

IUPACN-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C3=NC(=O)C(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C21H22N4O4/c1-28-17-9-7-16(8-10-17)22-20(27)24-11-13-25(14-12-24)21-23-19(26)18(29-21)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,22,27)
InChIKeyMZXOOMGJXLMFBG-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.50
Rot. Bonds3

About N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide (PubChem CID 13011275) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
PubChem CID13011275
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C3=NC(=O)C(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C21H22N4O4/c1-28-17-9-7-16(8-10-17)22-20(27)24-11-13-25(14-12-24)21-23-19(26)18(29-21)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,22,27)
InChIKeyMZXOOMGJXLMFBG-UHFFFAOYSA-N
XLogP2.50
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide (CID 13011275) is N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(C3=NC(=O)C(c4ccccc4)O3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
The InChIKey is MZXOOMGJXLMFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-17-9-7-16(8-10-17)22-20(27)24-11-13-25(14-12-24)21-23-19(26)18(29-21)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,22,27).
What are the key properties of N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 13011275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).