3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one

C28H17NO3 — CID 102590829

IUPAC3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2ccccc2c1-c1cccc2ccccc12)n1c(=O)oc2ccccc21
InChIInChI=1S/C28H17NO3/c30-27(29-24-14-5-6-15-25(24)32-28(29)31)23-17-16-19-9-2-4-12-21(19)26(23)22-13-7-10-18-8-1-3-11-20(18)22/h1-17H
InChIKeyQLYPEIVDNIEFJQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP6.26
Rot. Bonds2

About 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one

3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one (PubChem CID 102590829) has the molecular formula C28H17NO3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one
PubChem CID102590829
Molecular FormulaC28H17NO3
Molecular Weight415.45 g/mol
Exact Mass415.12
IUPAC Name3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one
SMILESO=C(c1ccc2ccccc2c1-c1cccc2ccccc12)n1c(=O)oc2ccccc21
InChIInChI=1S/C28H17NO3/c30-27(29-24-14-5-6-15-25(24)32-28(29)31)23-17-16-19-9-2-4-12-21(19)26(23)22-13-7-10-18-8-1-3-11-20(18)22/h1-17H
InChIKeyQLYPEIVDNIEFJQ-UHFFFAOYSA-N
XLogP6.26
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1-benzothiophen-3-yl)naphthalene-2-carbonyl]-1,3-benzoxazol-2-one
CID 135029181
3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965388
1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid
CID 146645135
3-(1-naphthalen-1-ylnaphthalen-2-yl)propanoic acid
CID 101432831
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate
CID 56688108
3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965381
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
CID 20965391
(1,3-dioxoisoindol-2-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400824
boric acid;1-naphthalen-1-ylnaphthalen-2-amine
CID 174302114
3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
6-amino-3-(1-methylindole-4-carbonyl)-1,3-benzoxazol-2-one
CID 112523032

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one (CID 102590829) is 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one is O=C(c1ccc2ccccc2c1-c1cccc2ccccc12)n1c(=O)oc2ccccc21.
What is the InChIKey of 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one?
The InChIKey is QLYPEIVDNIEFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17NO3/c30-27(29-24-14-5-6-15-25(24)32-28(29)31)23-17-16-19-9-2-4-12-21(19)26(23)22-13-7-10-18-8-1-3-11-20(18)22/h1-17H.
What are the key properties of 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one?
3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one has a molecular weight of 415.45 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-naphthalen-1-ylnaphthalene-2-carbonyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 102590829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).