3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole

C16H19N5OS — CID 136673309

IUPAC3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2[C@H]2CCCN(Cc3cscn3)C2)on1
InChIInChI=1S/C16H19N5OS/c1-11-5-15(22-20-11)14-6-18-19-16(14)12-3-2-4-21(7-12)8-13-9-23-10-17-13/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyPQMAEFAVUKUSAT-LBPRGKRZSA-N
MW329.43 g/mol
LogP3.21
Rot. Bonds4

About 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole

3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole (PubChem CID 136673309) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole
PubChem CID136673309
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2[C@H]2CCCN(Cc3cscn3)C2)on1
InChIInChI=1S/C16H19N5OS/c1-11-5-15(22-20-11)14-6-18-19-16(14)12-3-2-4-21(7-12)8-13-9-23-10-17-13/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyPQMAEFAVUKUSAT-LBPRGKRZSA-N
XLogP3.21
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124951938
[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 136798263
2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 135719726
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 136691315
4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136541469
3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763355
3-methyl-5-[5-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763208
5-[5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860474
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 97188791
4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110118585
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine
CID 45211230
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 45218502

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole (CID 136673309) is 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole is Cc1cc(-c2cn[nH]c2[C@H]2CCCN(Cc3cscn3)C2)on1.
What is the InChIKey of 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The InChIKey is PQMAEFAVUKUSAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-5-15(22-20-11)14-6-18-19-16(14)12-3-2-4-21(7-12)8-13-9-23-10-17-13/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole has a molecular weight of 329.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 136673309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).