1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C21H29N3O2S — CID 26319404

IUPAC1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(-c2nc(CN3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)s1
InChIInChI=1S/C21H29N3O2S/c1-15-8-9-19(27-15)21-22-18(16(2)26-21)14-24-11-4-3-6-17(24)10-13-23-12-5-7-20(23)25/h8-9,17H,3-7,10-14H2,1-2H3/t17-/m0/s1
InChIKeyQNLOMRWTCHGWBJ-KRWDZBQOSA-N
MW387.55 g/mol
LogP4.39
Rot. Bonds6

About 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 26319404) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID26319404
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(-c2nc(CN3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)s1
InChIInChI=1S/C21H29N3O2S/c1-15-8-9-19(27-15)21-22-18(16(2)26-21)14-24-11-4-3-6-17(24)10-13-23-12-5-7-20(23)25/h8-9,17H,3-7,10-14H2,1-2H3/t17-/m0/s1
InChIKeyQNLOMRWTCHGWBJ-KRWDZBQOSA-N
XLogP4.39
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 26319404) is 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1ccc(-c2nc(CN3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)s1.
What is the InChIKey of 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is QNLOMRWTCHGWBJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-15-8-9-19(27-15)21-22-18(16(2)26-21)14-24-11-4-3-6-17(24)10-13-23-12-5-7-20(23)25/h8-9,17H,3-7,10-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 387.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 26319404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).