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

C19H20F2N4O — CID 99834149

IUPAC5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole
SMILESCn1cc(-c2cc(CN3CCC[C@@H](c4cc(F)ccc4F)C3)on2)cn1
InChIInChI=1S/C19H20F2N4O/c1-24-10-14(9-22-24)19-8-16(26-23-19)12-25-6-2-3-13(11-25)17-7-15(20)4-5-18(17)21/h4-5,7-10,13H,2-3,6,11-12H2,1H3/t13-/m1/s1
InChIKeyOEBGKRYGQCLGNN-CYBMUJFWSA-N
MW358.39 g/mol
LogP3.73
Rot. Bonds4

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

5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole (PubChem CID 99834149) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole
PubChem CID99834149
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole
SMILESCn1cc(-c2cc(CN3CCC[C@@H](c4cc(F)ccc4F)C3)on2)cn1
InChIInChI=1S/C19H20F2N4O/c1-24-10-14(9-22-24)19-8-16(26-23-19)12-25-6-2-3-13(11-25)17-7-15(20)4-5-18(17)21/h4-5,7-10,13H,2-3,6,11-12H2,1H3/t13-/m1/s1
InChIKeyOEBGKRYGQCLGNN-CYBMUJFWSA-N
XLogP3.73
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrazol-4-yl)-5-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124883129
2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 116642488
5-(2-chloroethyl)-3-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 130517133
[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 136563170
[(1R)-2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 164640886
[2-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 126780951
[1-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-phenylpyrrolidin-3-yl]methanol
CID 154779704
5-[(3-cyclopropyl-4-nitropyrazol-1-yl)methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole
CID 99843049
4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 175200240
3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 53015168
N-methyl-1-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119914598
5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929505

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole (CID 99834149) is 5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole is Cn1cc(-c2cc(CN3CCC[C@@H](c4cc(F)ccc4F)C3)on2)cn1.
What is the InChIKey of 5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is OEBGKRYGQCLGNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-24-10-14(9-22-24)19-8-16(26-23-19)12-25-6-2-3-13(11-25)17-7-15(20)4-5-18(17)21/h4-5,7-10,13H,2-3,6,11-12H2,1H3/t13-/m1/s1.
What are the key properties of 5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole?
5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 358.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(2,5-difluorophenyl)piperidin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 99834149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).