3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

C16H17N5O2S — CID 45186933

IUPAC3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(N3CCCC3c3nccs3)nc2)n1
InChIInChI=1S/C16H17N5O2S/c1-22-10-13-19-15(23-20-13)11-4-5-14(18-9-11)21-7-2-3-12(21)16-17-6-8-24-16/h4-6,8-9,12H,2-3,7,10H2,1H3
InChIKeyCXXNTSKYBUQIFY-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.08
Rot. Bonds5

About 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 45186933) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID45186933
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(N3CCCC3c3nccs3)nc2)n1
InChIInChI=1S/C16H17N5O2S/c1-22-10-13-19-15(23-20-13)11-4-5-14(18-9-11)21-7-2-3-12(21)16-17-6-8-24-16/h4-6,8-9,12H,2-3,7,10H2,1H3
InChIKeyCXXNTSKYBUQIFY-UHFFFAOYSA-N
XLogP3.08
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 28072365
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyridinamine
CID 28926040
N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 45181282
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 45193285
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 71871211
1-[3-(5-Pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 91915195
1-{4-[3-(3-Methyl-1,2,4-oxadiazol-5-YL)pyridin-2-YL]-1,4-diazepan-1-YL}-2-(thiophen-2-YL)ethan-1-one
CID 53182126
1-[3-(3-Ethyl-1,2,4-oxadiazol-5-YL)pyridin-2-YL]-4-(thiophene-2-carbonyl)-1,4-diazepane
CID 53182146
1-{3-[3-(Propan-2-YL)-1,2,4-oxadiazol-5-YL]pyridin-2-YL}-4-(thiophene-2-carbonyl)-1,4-diazepane
CID 53182185
1-[3-(3-Propyl-1,2,4-oxadiazol-5-YL)pyridin-2-YL]-4-(thiophene-2-carbonyl)-1,4-diazepane
CID 53182218
2-{3-[1-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-YL]-1,2,4-oxadiazol-5-YL}pyridine
CID 91905630
5-[3-(4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-2-pyridinamine
CID 28735395

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 45186933) is 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is COCc1noc(-c2ccc(N3CCCC3c3nccs3)nc2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is CXXNTSKYBUQIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-22-10-13-19-15(23-20-13)11-4-5-14(18-9-11)21-7-2-3-12(21)16-17-6-8-24-16/h4-6,8-9,12H,2-3,7,10H2,1H3.
What are the key properties of 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 343.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[6-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 45186933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).