[2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate

C27H19NO5 — CID 23860088

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)c1cccc2cccc(-c3nc4ccccc4o3)c12
InChIInChI=1S/C27H19NO5/c1-31-23-14-4-2-10-18(23)22(29)16-32-27(30)20-12-7-9-17-8-6-11-19(25(17)20)26-28-21-13-3-5-15-24(21)33-26/h2-15H,16H2,1H3
InChIKeyAWFPEXHGKBEAII-UHFFFAOYSA-N
MW437.45 g/mol
LogP5.70
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate

[2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate (PubChem CID 23860088) has the molecular formula C27H19NO5 and a molecular weight of 437.45 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
PubChem CID23860088
Molecular FormulaC27H19NO5
Molecular Weight437.45 g/mol
Exact Mass437.13
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)c1cccc2cccc(-c3nc4ccccc4o3)c12
InChIInChI=1S/C27H19NO5/c1-31-23-14-4-2-10-18(23)22(29)16-32-27(30)20-12-7-9-17-8-6-11-19(25(17)20)26-28-21-13-3-5-15-24(21)33-26/h2-15H,16H2,1H3
InChIKeyAWFPEXHGKBEAII-UHFFFAOYSA-N
XLogP5.70
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.45
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate (CID 23860088) is [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate is COc1ccccc1C(=O)COC(=O)c1cccc2cccc(-c3nc4ccccc4o3)c12.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?
The InChIKey is AWFPEXHGKBEAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO5/c1-31-23-14-4-2-10-18(23)22(29)16-32-27(30)20-12-7-9-17-8-6-11-19(25(17)20)26-28-21-13-3-5-15-24(21)33-26/h2-15H,16H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?
[2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate has a molecular weight of 437.45 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate is sourced from PubChem (CID 23860088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).