[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate

C26H19N3O4 — CID 23943727

IUPAC[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2cccc(-c3nc4ccccc4o3)c12)NCc1cccnc1
InChIInChI=1S/C26H19N3O4/c30-23(28-15-17-6-5-13-27-14-17)16-32-26(31)20-10-4-8-18-7-3-9-19(24(18)20)25-29-21-11-1-2-12-22(21)33-25/h1-14H,15-16H2,(H,28,30)
InChIKeyZYECCYSCRRXIAA-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.52
Rot. Bonds6

About [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate

[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate (PubChem CID 23943727) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
PubChem CID23943727
Molecular FormulaC26H19N3O4
Molecular Weight437.46 g/mol
Exact Mass437.14
IUPAC Name[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2cccc(-c3nc4ccccc4o3)c12)NCc1cccnc1
InChIInChI=1S/C26H19N3O4/c30-23(28-15-17-6-5-13-27-14-17)16-32-26(31)20-10-4-8-18-7-3-9-19(24(18)20)25-29-21-11-1-2-12-22(21)33-25/h1-14H,15-16H2,(H,28,30)
InChIKeyZYECCYSCRRXIAA-UHFFFAOYSA-N
XLogP4.52
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23943505
[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 23999536
[2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23860088
[2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23802710
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
(2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate
CID 23859986
4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid
CID 23859806
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23993753
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 1,3-benzoxazole-6-carboxylate
CID 23831576
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23943565
[2-(4-chlorophenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23831669

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?
The IUPAC name of [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate (CID 23943727) is [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?
The canonical SMILES for [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate is O=C(COC(=O)c1cccc2cccc(-c3nc4ccccc4o3)c12)NCc1cccnc1.
What is the InChIKey of [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?
The InChIKey is ZYECCYSCRRXIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4/c30-23(28-15-17-6-5-13-27-14-17)16-32-26(31)20-10-4-8-18-7-3-9-19(24(18)20)25-29-21-11-1-2-12-22(21)33-25/h1-14H,15-16H2,(H,28,30).
What are the key properties of [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?
[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate has a molecular weight of 437.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate is sourced from PubChem (CID 23943727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).