(2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

C23H30FN3O2 — CID 171906944

IUPAC(2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)CCc1nc2c(o1)CCN(C(=O)c1cc(C3CCNCC3)ccc1F)C2
InChIInChI=1S/C23H30FN3O2/c1-15(2)3-6-22-26-20-14-27(12-9-21(20)29-22)23(28)18-13-17(4-5-19(18)24)16-7-10-25-11-8-16/h4-5,13,15-16,25H,3,6-12,14H2,1-2H3
InChIKeySIOBGKLXJNGGBU-UHFFFAOYSA-N
MW399.51 g/mol
LogP4.07
Rot. Bonds5

About (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone

(2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 171906944) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID171906944
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name(2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)CCc1nc2c(o1)CCN(C(=O)c1cc(C3CCNCC3)ccc1F)C2
InChIInChI=1S/C23H30FN3O2/c1-15(2)3-6-22-26-20-14-27(12-9-21(20)29-22)23(28)18-13-17(4-5-19(18)24)16-7-10-25-11-8-16/h4-5,13,15-16,25H,3,6-12,14H2,1-2H3
InChIKeySIOBGKLXJNGGBU-UHFFFAOYSA-N
XLogP4.07
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

1,6-dimethyl-3-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
CID 170510010
(8-fluoroquinolin-2-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170505117
1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421964
(2,3-dichlorophenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418475
(2-fluoro-5-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171361963
(4-hydroxy-3,5-dimethoxyphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170507395
(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
CID 171361960
(5R)-5-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
CID 170505726
[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 170509582
[6-(dimethylamino)-3-pyridinyl]-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170504365
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(4-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171710126
(5-hydroxy-1,2-dimethylindol-3-yl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170503579

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 171906944) is (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is CC(C)CCc1nc2c(o1)CCN(C(=O)c1cc(C3CCNCC3)ccc1F)C2.
What is the InChIKey of (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is SIOBGKLXJNGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-15(2)3-6-22-26-20-14-27(12-9-21(20)29-22)23(28)18-13-17(4-5-19(18)24)16-7-10-25-11-8-16/h4-5,13,15-16,25H,3,6-12,14H2,1-2H3.
What are the key properties of (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
(2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 399.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 171906944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).