(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

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Related Compounds

(5-chlorothiophen-2-yl)methyl 4-formylbenzoate
CID 55313426
(5-chlorothiophen-2-yl)methyl 4-(4-oxoquinazolin-3-yl)benzoate
CID 75401863
ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate
CID 68663627
N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 61236027
(3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 86953794
(5-chlorothiophen-2-yl)methyl 2-amino-6-methylbenzoate
CID 61321921
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 43067948
N-[2-(2,6-dichlorophenyl)propan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 51133033
(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate
CID 1479747
(5-chlorothiophen-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55640706
N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 56684520
tert-butyl (5-chlorothiophen-2-yl)methyl carbonate
CID 175192164

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).