5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one

C16H17FN2O3 — CID 170079780

IUPAC5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
SMILESC=C1CCC(n2c(=O)oc3cc(C(C)C)c(F)cc32)C(=O)N1
InChIInChI=1S/C16H17FN2O3/c1-8(2)10-6-14-13(7-11(10)17)19(16(21)22-14)12-5-4-9(3)18-15(12)20/h6-8,12H,3-5H2,1-2H3,(H,18,20)
InChIKeyDUSJKMWBVRMJKF-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.82
Rot. Bonds2

About 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one

5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 170079780) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID170079780
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
SMILESC=C1CCC(n2c(=O)oc3cc(C(C)C)c(F)cc32)C(=O)N1
InChIInChI=1S/C16H17FN2O3/c1-8(2)10-6-14-13(7-11(10)17)19(16(21)22-14)12-5-4-9(3)18-15(12)20/h6-8,12H,3-5H2,1-2H3,(H,18,20)
InChIKeyDUSJKMWBVRMJKF-UHFFFAOYSA-N
XLogP2.82
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen
CID 160638282
3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 163611115
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one
CID 158779317
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
CID 167278640
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
3-[5-fluoro-2-oxo-7-[1-(thiiran-2-ylsulfanyl)ethyl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 170081911
5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-6-(2-methylpropyl)isoindole-1,3-dione
CID 174121381
2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one
CID 163428851
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one (CID 170079780) is 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one is C=C1CCC(n2c(=O)oc3cc(C(C)C)c(F)cc32)C(=O)N1.
What is the InChIKey of 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is DUSJKMWBVRMJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-8(2)10-6-14-13(7-11(10)17)19(16(21)22-14)12-5-4-9(3)18-15(12)20/h6-8,12H,3-5H2,1-2H3,(H,18,20).
What are the key properties of 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one?
5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 304.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 170079780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).