2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole

C18H26N4O3 — CID 129486505

IUPAC2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
SMILESCCc1noc(C)c1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1
InChIInChI=1S/C18H26N4O3/c1-3-14-13(12(2)25-21-14)11-22-9-5-4-7-15(22)17-19-20-18(24-17)16-8-6-10-23-16/h15-16H,3-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyCVNCDOQUTPKOFZ-JKSUJKDBSA-N
MW346.43 g/mol
LogP3.51
Rot. Bonds5

About 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole

2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole (PubChem CID 129486505) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
PubChem CID129486505
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
SMILESCCc1noc(C)c1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1
InChIInChI=1S/C18H26N4O3/c1-3-14-13(12(2)25-21-14)11-22-9-5-4-7-15(22)17-19-20-18(24-17)16-8-6-10-23-16/h15-16H,3-11H2,1-2H3/t15-,16+/m0/s1
InChIKeyCVNCDOQUTPKOFZ-JKSUJKDBSA-N
XLogP3.51
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119909283
2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
CID 129346137
6-methyl-5-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 128991948
2-[(2S)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619087
5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95110503
3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129398428
3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid
CID 42576536
(2-methoxy-3-pyridinyl)-[(2R)-2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 129486748
3,4-diethyl-5-methyl-1,2-oxazole
CID 59688885
5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154749204
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63847662
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole (CID 129486505) is 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole is CCc1noc(C)c1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1.
What is the InChIKey of 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
The InChIKey is CVNCDOQUTPKOFZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-14-13(12(2)25-21-14)11-22-9-5-4-7-15(22)17-19-20-18(24-17)16-8-6-10-23-16/h15-16H,3-11H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole has a molecular weight of 346.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 129486505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).