(5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

C13H9ClN2O3S — CID 47398743

IUPAC(5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1noc2ncc(C(=O)OCc3ccc(Cl)s3)cc12
InChIInChI=1S/C13H9ClN2O3S/c1-7-10-4-8(5-15-12(10)19-16-7)13(17)18-6-9-2-3-11(14)20-9/h2-5H,6H2,1H3
InChIKeyHZAKFAXPOQPZSD-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.60
Rot. Bonds3

About (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

(5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 47398743) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
PubChem CID47398743
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC Name(5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1noc2ncc(C(=O)OCc3ccc(Cl)s3)cc12
InChIInChI=1S/C13H9ClN2O3S/c1-7-10-4-8(5-15-12(10)19-16-7)13(17)18-6-9-2-3-11(14)20-9/h2-5H,6H2,1H3
InChIKeyHZAKFAXPOQPZSD-UHFFFAOYSA-N
XLogP3.60
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (CID 47398743) is (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is Cc1noc2ncc(C(=O)OCc3ccc(Cl)s3)cc12.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is HZAKFAXPOQPZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c1-7-10-4-8(5-15-12(10)19-16-7)13(17)18-6-9-2-3-11(14)20-9/h2-5H,6H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
(5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 308.75 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 47398743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).