5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole

C12H12ClFN2O — CID 82720359

IUPAC5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole
SMILESFc1cc2oc(C3CCCNC3)nc2cc1Cl
InChIInChI=1S/C12H12ClFN2O/c13-8-4-10-11(5-9(8)14)17-12(16-10)7-2-1-3-15-6-7/h4-5,7,15H,1-3,6H2
InChIKeyNKMNIWLAMGUCGV-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.09
Rot. Bonds1

About 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole

5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole (PubChem CID 82720359) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole
PubChem CID82720359
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole
SMILESFc1cc2oc(C3CCCNC3)nc2cc1Cl
InChIInChI=1S/C12H12ClFN2O/c13-8-4-10-11(5-9(8)14)17-12(16-10)7-2-1-3-15-6-7/h4-5,7,15H,1-3,6H2
InChIKeyNKMNIWLAMGUCGV-UHFFFAOYSA-N
XLogP3.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole 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-chloro-2-piperidin-3-yl-1,3-benzoxazole
CID 43114866
6-methyl-2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
CID 51673597
5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
CID 63032538
5,6-difluoro-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-benzoxazole
CID 90121791
5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole
CID 79016776
5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole
CID 114430038
5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 82720864
2-cyclobutyl-6,7-dihydro-5H-pyrrolo[3,4-f][1,3]benzoxazole
CID 96612054
2-cyclopropyl-5-ethynyl-6-fluoro-1,3-benzoxazole
CID 166973320
5-chloro-6-fluoro-2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
CID 82720963
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080752
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole?
The IUPAC name of 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole (CID 82720359) is 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole?
The canonical SMILES for 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole is Fc1cc2oc(C3CCCNC3)nc2cc1Cl.
What is the InChIKey of 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole?
The InChIKey is NKMNIWLAMGUCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-8-4-10-11(5-9(8)14)17-12(16-10)7-2-1-3-15-6-7/h4-5,7,15H,1-3,6H2.
What are the key properties of 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole?
5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole has a molecular weight of 254.69 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-2-piperidin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 82720359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).