5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole

C18H19N3OS — CID 164634655

IUPAC5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
SMILESCc1oc(-c2ccsc2)nc1CN1CC[C@H](c2ccncc2)C1
InChIInChI=1S/C18H19N3OS/c1-13-17(20-18(22-13)16-5-9-23-12-16)11-21-8-4-15(10-21)14-2-6-19-7-3-14/h2-3,5-7,9,12,15H,4,8,10-11H2,1H3/t15-/m0/s1
InChIKeyYBZHXMIBBNCDGE-HNNXBMFYSA-N
MW325.44 g/mol
LogP4.10
Rot. Bonds4

About 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole

5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole (PubChem CID 164634655) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
PubChem CID164634655
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
SMILESCc1oc(-c2ccsc2)nc1CN1CC[C@H](c2ccncc2)C1
InChIInChI=1S/C18H19N3OS/c1-13-17(20-18(22-13)16-5-9-23-12-16)11-21-8-4-15(10-21)14-2-6-19-7-3-14/h2-3,5-7,9,12,15H,4,8,10-11H2,1H3/t15-/m0/s1
InChIKeyYBZHXMIBBNCDGE-HNNXBMFYSA-N
XLogP4.10
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole with MolForge

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Related Compounds

1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-(thiophen-3-yl)heptan-1-one
CID 16736616
(2R,6S)-2,6-dimethyl-4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}morpholine
CID 16188352
2-[[5-Methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5309315
3-[1-({5-Methyl-2-[4-(methylthio)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-2-yl]pyridine
CID 16190308
(Isoquinolin-5-ylmethyl)methyl{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}amine
CID 16191249
2-(2,4-Difluorophenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191257
4-{[2-(4-Fluorophenyl)pyrrolidin-1-yl]methyl}-5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazole
CID 16187797
1-{[5-Methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16188686
(3S)-1,3-dimethyl-4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}piperazin-2-one
CID 16191376
N-methyl-1-[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]-N-(quinoxalin-6-ylmethyl)methanamine
CID 16187373
1-{[5-Methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-4-phenylpiperidine
CID 16189118
N-ethyl-N-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 42299091

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole (CID 164634655) is 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole is Cc1oc(-c2ccsc2)nc1CN1CC[C@H](c2ccncc2)C1.
What is the InChIKey of 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole?
The InChIKey is YBZHXMIBBNCDGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-17(20-18(22-13)16-5-9-23-12-16)11-21-8-4-15(10-21)14-2-6-19-7-3-14/h2-3,5-7,9,12,15H,4,8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole?
5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole has a molecular weight of 325.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole is sourced from PubChem (CID 164634655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).