[(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C18H18N2O4S — CID 47603390

IUPAC[(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3c(C)noc3n2)s1
InChIInChI=1S/C18H18N2O4S/c1-10-5-6-15(25-10)14-8-13(16-11(2)20-24-17(16)19-14)18(21)23-9-12-4-3-7-22-12/h5-6,8,12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyKZHXVCCCQAGVMJ-LBPRGKRZSA-N
MW358.42 g/mol
LogP3.90
Rot. Bonds4

About [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 47603390) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID47603390
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name[(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3c(C)noc3n2)s1
InChIInChI=1S/C18H18N2O4S/c1-10-5-6-15(25-10)14-8-13(16-11(2)20-24-17(16)19-14)18(21)23-9-12-4-3-7-22-12/h5-6,8,12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyKZHXVCCCQAGVMJ-LBPRGKRZSA-N
XLogP3.90
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
1,3-benzoxazol-2-ylmethyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42314153
2-[1-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55781069
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 47017859
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 52576468
[(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
CID 94829407
(2,2-dichlorocyclopropyl)methyl 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158226
oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61310245
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55505337
3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55706061
(2,2-dichlorocyclopropyl)methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158224
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]pentanoate
CID 55597491

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 47603390) is [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3c(C)noc3n2)s1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is KZHXVCCCQAGVMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-10-5-6-15(25-10)14-8-13(16-11(2)20-24-17(16)19-14)18(21)23-9-12-4-3-7-22-12/h5-6,8,12H,3-4,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 47603390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).