3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide

C26H23ClN4O4 — CID 50841902

IUPAC3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2oc(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C26H23ClN4O4/c27-19-7-9-21(10-8-19)29-12-14-30(15-13-29)24(32)17-31-22-16-18(6-11-23(22)35-26(31)34)25(33)28-20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,28,33)
InChIKeyWSHOPKYNZQANGY-UHFFFAOYSA-N
MW490.95 g/mol
LogP3.85
Rot. Bonds5

About 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide

3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide (PubChem CID 50841902) has the molecular formula C26H23ClN4O4 and a molecular weight of 490.95 g/mol. Its IUPAC name is 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
PubChem CID50841902
Molecular FormulaC26H23ClN4O4
Molecular Weight490.95 g/mol
Exact Mass490.14
IUPAC Name3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2oc(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C26H23ClN4O4/c27-19-7-9-21(10-8-19)29-12-14-30(15-13-29)24(32)17-31-22-16-18(6-11-23(22)35-26(31)34)25(33)28-20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,28,33)
InChIKeyWSHOPKYNZQANGY-UHFFFAOYSA-N
XLogP3.85
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide with MolForge

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Related Compounds

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842162
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 46329741
3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 53067148
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
5-chloro-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 46970893
3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50842004
3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 91780343
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide
CID 1337040
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide (CID 50841902) is 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide is O=C(Nc1ccccc1)c1ccc2oc(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is WSHOPKYNZQANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4/c27-19-7-9-21(10-8-19)29-12-14-30(15-13-29)24(32)17-31-22-16-18(6-11-23(22)35-26(31)34)25(33)28-20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,28,33).
What are the key properties of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide?
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 490.95 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 50841902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).