2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone

C20H14FNO2 — CID 141149437

IUPAC2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone
SMILESCN1C(=CC(=O)c2ccc3ccccc3c2)Oc2ccc(F)cc21
InChIInChI=1S/C20H14FNO2/c1-22-17-11-16(21)8-9-19(17)24-20(22)12-18(23)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3
InChIKeyPCKIKBKOFMNMFV-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.53
Rot. Bonds2

About 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone

2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone (PubChem CID 141149437) has the molecular formula C20H14FNO2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone
PubChem CID141149437
Molecular FormulaC20H14FNO2
Molecular Weight319.33 g/mol
Exact Mass319.10
IUPAC Name2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone
SMILESCN1C(=CC(=O)c2ccc3ccccc3c2)Oc2ccc(F)cc21
InChIInChI=1S/C20H14FNO2/c1-22-17-11-16(21)8-9-19(17)24-20(22)12-18(23)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3
InChIKeyPCKIKBKOFMNMFV-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone?
The IUPAC name of 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone (CID 141149437) is 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone is CN1C(=CC(=O)c2ccc3ccccc3c2)Oc2ccc(F)cc21.
What is the InChIKey of 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone?
The InChIKey is PCKIKBKOFMNMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2/c1-22-17-11-16(21)8-9-19(17)24-20(22)12-18(23)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3.
What are the key properties of 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone?
2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone has a molecular weight of 319.33 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-methyl-1,3-benzoxazol-2-ylidene)-1-naphthalen-2-ylethanone is sourced from PubChem (CID 141149437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).