(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C16H15N3O2S — CID 47041435

IUPAC(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCCC3c3ccsc3)cc12
InChIInChI=1S/C16H15N3O2S/c1-10-13-7-12(8-17-15(13)21-18-10)16(20)19-5-2-3-14(19)11-4-6-22-9-11/h4,6-9,14H,2-3,5H2,1H3
InChIKeyKRJJYFSYAIJVQM-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.57
Rot. Bonds2

About (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 47041435) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID47041435
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCCC3c3ccsc3)cc12
InChIInChI=1S/C16H15N3O2S/c1-10-13-7-12(8-17-15(13)21-18-10)16(20)19-5-2-3-14(19)11-4-6-22-9-11/h4,6-9,14H,2-3,5H2,1H3
InChIKeyKRJJYFSYAIJVQM-UHFFFAOYSA-N
XLogP3.57
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 47041435) is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is Cc1noc2ncc(C(=O)N3CCCC3c3ccsc3)cc12.
What is the InChIKey of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is KRJJYFSYAIJVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-13-7-12(8-17-15(13)21-18-10)16(20)19-5-2-3-14(19)11-4-6-22-9-11/h4,6-9,14H,2-3,5H2,1H3.
What are the key properties of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 313.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 47041435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).