3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C17H19N5O3S — CID 51721763

IUPAC3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3nnc([C@H]4CCCO4)s3)c12
InChIInChI=1S/C17H19N5O3S/c1-8(2)11-7-10(13-9(3)22-25-15(13)18-11)14(23)19-17-21-20-16(26-17)12-5-4-6-24-12/h7-8,12H,4-6H2,1-3H3,(H,19,21,23)/t12-/m1/s1
InChIKeyURLXMRMGCQXUQQ-GFCCVEGCSA-N
MW373.44 g/mol
LogP3.61
Rot. Bonds4

About 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51721763) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51721763
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)Nc3nnc([C@H]4CCCO4)s3)c12
InChIInChI=1S/C17H19N5O3S/c1-8(2)11-7-10(13-9(3)22-25-15(13)18-11)14(23)19-17-21-20-16(26-17)12-5-4-6-24-12/h7-8,12H,4-6H2,1-3H3,(H,19,21,23)/t12-/m1/s1
InChIKeyURLXMRMGCQXUQQ-GFCCVEGCSA-N
XLogP3.61
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51721763) is 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)Nc3nnc([C@H]4CCCO4)s3)c12.
What is the InChIKey of 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is URLXMRMGCQXUQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-8(2)11-7-10(13-9(3)22-25-15(13)18-11)14(23)19-17-21-20-16(26-17)12-5-4-6-24-12/h7-8,12H,4-6H2,1-3H3,(H,19,21,23)/t12-/m1/s1.
What are the key properties of 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51721763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).