1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one

C13H13FN2O2 — CID 133497405

IUPAC1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one
SMILESCC1CN(c2nc3cc(F)ccc3o2)CCC1=O
InChIInChI=1S/C13H13FN2O2/c1-8-7-16(5-4-11(8)17)13-15-10-6-9(14)2-3-12(10)18-13/h2-3,6,8H,4-5,7H2,1H3
InChIKeyVBILLDNOFYDORN-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.38
Rot. Bonds1

About 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one

1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one (PubChem CID 133497405) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one
PubChem CID133497405
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one
SMILESCC1CN(c2nc3cc(F)ccc3o2)CCC1=O
InChIInChI=1S/C13H13FN2O2/c1-8-7-16(5-4-11(8)17)13-15-10-6-9(14)2-3-12(10)18-13/h2-3,6,8H,4-5,7H2,1H3
InChIKeyVBILLDNOFYDORN-UHFFFAOYSA-N
XLogP2.38
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-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

5-fluoro-2-(3-pyrrolidin-1-ylazepan-1-yl)-1,3-benzoxazole
CID 133314279
1-[1-[1-(5-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948518
2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propanoic acid
CID 82167709
5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 133487290
2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine
CID 82167712
2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
CID 129001083
6-fluoro-2-(4-methylidenepiperidin-1-yl)-1,3-benzoxazole
CID 172901646
5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126893682
N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887891
6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
1-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400683
1-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 129400658

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one (CID 133497405) is 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one is CC1CN(c2nc3cc(F)ccc3o2)CCC1=O.
What is the InChIKey of 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one?
The InChIKey is VBILLDNOFYDORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-7-16(5-4-11(8)17)13-15-10-6-9(14)2-3-12(10)18-13/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one?
1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one has a molecular weight of 248.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one is sourced from PubChem (CID 133497405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).