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

C13H17N3OS — CID 99943755

IUPAC5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@H]2CCCCN2Cc2cscn2)no1
InChIInChI=1S/C13H17N3OS/c1-10-6-12(15-17-10)13-4-2-3-5-16(13)7-11-8-18-9-14-11/h6,8-9,13H,2-5,7H2,1H3/t13-/m1/s1
InChIKeyORAMKVFVFYUYKO-CYBMUJFWSA-N
MW263.37 g/mol
LogP3.17
Rot. Bonds3

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

5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole (PubChem CID 99943755) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
PubChem CID99943755
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@H]2CCCCN2Cc2cscn2)no1
InChIInChI=1S/C13H17N3OS/c1-10-6-12(15-17-10)13-4-2-3-5-16(13)7-11-8-18-9-14-11/h6,8-9,13H,2-5,7H2,1H3/t13-/m1/s1
InChIKeyORAMKVFVFYUYKO-CYBMUJFWSA-N
XLogP3.17
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 99931192
N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 124948743
3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92849796
3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 99932525
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930
2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581
5-methyl-3-[1-[(4-propan-2-yloxyphenyl)methyl]azepan-2-yl]-1,2-oxazole
CID 110220454
5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124975748
6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
CID 110111594
3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732249

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole (CID 99943755) is 5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole is Cc1cc([C@H]2CCCCN2Cc2cscn2)no1.
What is the InChIKey of 5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole?
The InChIKey is ORAMKVFVFYUYKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-6-12(15-17-10)13-4-2-3-5-16(13)7-11-8-18-9-14-11/h6,8-9,13H,2-5,7H2,1H3/t13-/m1/s1.
What are the key properties of 5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole?
5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole has a molecular weight of 263.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 99943755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).