(2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate

C28H18N2O4 — CID 23859986

IUPAC(2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate
SMILESO=C(OCC(=O)n1c2ccccc2c2ccccc21)c1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C28H18N2O4/c31-26(30-23-14-6-3-9-18(23)19-10-4-7-15-24(19)30)17-33-28(32)21-12-2-1-11-20(21)27-29-22-13-5-8-16-25(22)34-27/h1-16H,17H2
InChIKeyCCHIVYOYGFVTQT-UHFFFAOYSA-N
MW446.46 g/mol
LogP6.10
Rot. Bonds4

About (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate

(2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate (PubChem CID 23859986) has the molecular formula C28H18N2O4 and a molecular weight of 446.46 g/mol. Its IUPAC name is (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate.

Molecular Properties

Compound Name(2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate
PubChem CID23859986
Molecular FormulaC28H18N2O4
Molecular Weight446.46 g/mol
Exact Mass446.13
IUPAC Name(2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate
SMILESO=C(OCC(=O)n1c2ccccc2c2ccccc21)c1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C28H18N2O4/c31-26(30-23-14-6-3-9-18(23)19-10-4-7-15-24(19)30)17-33-28(32)21-12-2-1-11-20(21)27-29-22-13-5-8-16-25(22)34-27/h1-16H,17H2
InChIKeyCCHIVYOYGFVTQT-UHFFFAOYSA-N
XLogP6.10
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23831669
4-[[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxyacetyl]amino]benzoic acid
CID 23859806
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23943565
[2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23860088
[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23943727
[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23802704
3-(1,3-benzoxazol-2-ylsulfanyl)-1-carbazol-9-ylpropan-1-one
CID 23945282
[2-(4-chloroanilino)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23943505
[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23860521
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661260
[2-(1,3-benzoxazol-2-yl)phenyl] 2-nitrobenzoate
CID 101207304
[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23803038

Frequently Asked Questions

What is the IUPAC name of (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate?
The IUPAC name of (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate (CID 23859986) is (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate.
What is the SMILES notation for (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate?
The canonical SMILES for (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate is O=C(OCC(=O)n1c2ccccc2c2ccccc21)c1ccccc1-c1nc2ccccc2o1.
What is the InChIKey of (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate?
The InChIKey is CCHIVYOYGFVTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O4/c31-26(30-23-14-6-3-9-18(23)19-10-4-7-15-24(19)30)17-33-28(32)21-12-2-1-11-20(21)27-29-22-13-5-8-16-25(22)34-27/h1-16H,17H2.
What are the key properties of (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate?
(2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate has a molecular weight of 446.46 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbazol-9-yl-2-oxoethyl) 2-(1,3-benzoxazol-2-yl)benzoate is sourced from PubChem (CID 23859986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).