[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

C23H17ClN2O4 — CID 18288950

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCc1ccccc1Cl
InChIInChI=1S/C23H17ClN2O4/c24-19-9-5-4-8-17(19)13-25-21(27)14-29-23(28)16-10-11-20-18(12-16)22(30-26-20)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,27)
InChIKeyQSXILWLIMBAESZ-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.62
Rot. Bonds6

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate (PubChem CID 18288950) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
PubChem CID18288950
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCc1ccccc1Cl
InChIInChI=1S/C23H17ClN2O4/c24-19-9-5-4-8-17(19)13-25-21(27)14-29-23(28)16-10-11-20-18(12-16)22(30-26-20)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,27)
InChIKeyQSXILWLIMBAESZ-UHFFFAOYSA-N
XLogP4.62
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 7503210
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23915819
[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 7503143
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 86776500
[2-(4-cyanoanilino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 8536736
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2428769
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-bromobenzoate
CID 7959943
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 8536923
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23943716
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 16572994
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 2417667
[2-(2,5-difluorophenyl)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 8536837

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate (CID 18288950) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate is O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
The InChIKey is QSXILWLIMBAESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c24-19-9-5-4-8-17(19)13-25-21(27)14-29-23(28)16-10-11-20-18(12-16)22(30-26-20)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,27).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate has a molecular weight of 420.85 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate is sourced from PubChem (CID 18288950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).