5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole

C18H18F2N4OS — CID 110237190

IUPAC5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2snnc2C2CCCN(Cc3cc(F)ccc3F)C2)on1
InChIInChI=1S/C18H18F2N4OS/c1-11-7-16(25-22-11)18-17(21-23-26-18)12-3-2-6-24(9-12)10-13-8-14(19)4-5-15(13)20/h4-5,7-8,12H,2-3,6,9-10H2,1H3
InChIKeyHVJRQAIIFXUKQO-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.16
Rot. Bonds4

About 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole

5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole (PubChem CID 110237190) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
PubChem CID110237190
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC Name5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2snnc2C2CCCN(Cc3cc(F)ccc3F)C2)on1
InChIInChI=1S/C18H18F2N4OS/c1-11-7-16(25-22-11)18-17(21-23-26-18)12-3-2-6-24(9-12)10-13-8-14(19)4-5-15(13)20/h4-5,7-8,12H,2-3,6,9-10H2,1H3
InChIKeyHVJRQAIIFXUKQO-UHFFFAOYSA-N
XLogP4.16
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
CID 110237198
5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 92554129
5-[4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237195
5-[4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 95856203
3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
CID 95856201
5-[4-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670063
cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
CID 95856208
3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one
CID 51584549
3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one
CID 92554125
[3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110237217
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine
CID 63386784

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole (CID 110237190) is 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2snnc2C2CCCN(Cc3cc(F)ccc3F)C2)on1.
What is the InChIKey of 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is HVJRQAIIFXUKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c1-11-7-16(25-22-11)18-17(21-23-26-18)12-3-2-6-24(9-12)10-13-8-14(19)4-5-15(13)20/h4-5,7-8,12H,2-3,6,9-10H2,1H3.
What are the key properties of 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole?
5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 376.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 110237190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).