5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole

C17H19N3OS2 — CID 42465919

IUPAC5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCC[C@H]3c3nccs3)c(C)o2)s1
InChIInChI=1S/C17H19N3OS2/c1-11-5-6-15(23-11)16-19-13(12(2)21-16)10-20-8-3-4-14(20)17-18-7-9-22-17/h5-7,9,14H,3-4,8,10H2,1-2H3/t14-/m0/s1
InChIKeyNSRLQNJAIVHQKW-AWEZNQCLSA-N
MW345.49 g/mol
LogP4.81
Rot. Bonds4

About 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole

5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 42465919) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID42465919
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC Name5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCC[C@H]3c3nccs3)c(C)o2)s1
InChIInChI=1S/C17H19N3OS2/c1-11-5-6-15(23-11)16-19-13(12(2)21-16)10-20-8-3-4-14(20)17-18-7-9-22-17/h5-7,9,14H,3-4,8,10H2,1-2H3/t14-/m0/s1
InChIKeyNSRLQNJAIVHQKW-AWEZNQCLSA-N
XLogP4.81
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42357603
5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
5-methyl-2-(5-methylfuran-2-yl)-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45222645
2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45179469
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 26336117
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42383917
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626
5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238946
5-methyl-2-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238949
[(2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 78916202
[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62014930

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 42465919) is 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is Cc1ccc(-c2nc(CN3CCC[C@H]3c3nccs3)c(C)o2)s1.
What is the InChIKey of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is NSRLQNJAIVHQKW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3OS2/c1-11-5-6-15(23-11)16-19-13(12(2)21-16)10-20-8-3-4-14(20)17-18-7-9-22-17/h5-7,9,14H,3-4,8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 345.49 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 42465919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).