1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one

C19H15FN2O3 — CID 166433806

IUPAC1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one
SMILESO=C1Nc2ccc(F)cc2C2(CN(C(=O)C34C5C6C7C5C3C7C64)C2)O1
InChIInChI=1S/C19H15FN2O3/c20-6-1-2-8-7(3-6)18(25-17(24)21-8)4-22(5-18)16(23)19-13-10-9-11(13)15(19)12(9)14(10)19/h1-3,9-15H,4-5H2,(H,21,24)
InChIKeyOWDGWKCLSBCABV-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.79
Rot. Bonds1

About 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one

1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one (PubChem CID 166433806) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one.

Molecular Properties

Compound Name1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one
PubChem CID166433806
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one
SMILESO=C1Nc2ccc(F)cc2C2(CN(C(=O)C34C5C6C7C5C3C7C64)C2)O1
InChIInChI=1S/C19H15FN2O3/c20-6-1-2-8-7(3-6)18(25-17(24)21-8)4-22(5-18)16(23)19-13-10-9-11(13)15(19)12(9)14(10)19/h1-3,9-15H,4-5H2,(H,21,24)
InChIKeyOWDGWKCLSBCABV-UHFFFAOYSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-4,4-dipropyl-1H-3,1-benzoxazin-2-one
CID 143713981
4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 90786562
methyl 2-(3,4-dichlorophenyl)-4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)butanoate
CID 59763404
1'-[4-(3-chloro-4-methylphenyl)-5-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentyl]-6-fluorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 143714033
4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]butanamide
CID 59763387
4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-methyl-N-(2-phenylethyl)butanamide
CID 59763412
1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone
CID 82392213
methyl N-[4-[[(2S)-1-[(4R)-6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-1'-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]carbamoyl]phenyl]carbamate
CID 140772880
tert-butyl 6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,3'-piperidine]-1'-carboxylate
CID 102423145
3-[3-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
CID 10120260
2-(3,4-dichlorophenyl)-5-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 25175524
4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 59763424

Frequently Asked Questions

What is the IUPAC name of 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one?
The IUPAC name of 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one (CID 166433806) is 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one.
What is the SMILES notation for 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one?
The canonical SMILES for 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one is O=C1Nc2ccc(F)cc2C2(CN(C(=O)C34C5C6C7C5C3C7C64)C2)O1.
What is the InChIKey of 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one?
The InChIKey is OWDGWKCLSBCABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c20-6-1-2-8-7(3-6)18(25-17(24)21-8)4-22(5-18)16(23)19-13-10-9-11(13)15(19)12(9)14(10)19/h1-3,9-15H,4-5H2,(H,21,24).
What are the key properties of 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one?
1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one has a molecular weight of 338.34 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cubane-1-carbonyl)-6-fluorospiro[1H-3,1-benzoxazine-4,3'-azetidine]-2-one is sourced from PubChem (CID 166433806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).