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

C15H20N2OS — CID 95225837

IUPAC5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1ccsc1-c1nc(CN2CCC[C@@H]2C)c(C)o1
InChIInChI=1S/C15H20N2OS/c1-10-6-8-19-14(10)15-16-13(12(3)18-15)9-17-7-4-5-11(17)2/h6,8,11H,4-5,7,9H2,1-3H3/t11-/m0/s1
InChIKeySJBNWLVDKYJVHY-NSHDSACASA-N
MW276.40 g/mol
LogP4.00
Rot. Bonds3

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

5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole (PubChem CID 95225837) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole
PubChem CID95225837
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1ccsc1-c1nc(CN2CCC[C@@H]2C)c(C)o1
InChIInChI=1S/C15H20N2OS/c1-10-6-8-19-14(10)15-16-13(12(3)18-15)9-17-7-4-5-11(17)2/h6,8,11H,4-5,7,9H2,1-3H3/t11-/m0/s1
InChIKeySJBNWLVDKYJVHY-NSHDSACASA-N
XLogP4.00
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole?
The IUPAC name of 5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole (CID 95225837) is 5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole is Cc1ccsc1-c1nc(CN2CCC[C@@H]2C)c(C)o1.
What is the InChIKey of 5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole?
The InChIKey is SJBNWLVDKYJVHY-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-6-8-19-14(10)15-16-13(12(3)18-15)9-17-7-4-5-11(17)2/h6,8,11H,4-5,7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole?
5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole has a molecular weight of 276.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-(3-methylthiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 95225837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).