6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H25N3O4 — CID 126772498

IUPAC6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC3CCC(CO)CC3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C21H25N3O4/c1-11-8-16(13(3)27-11)18-9-17(19-12(2)24-28-21(19)23-18)20(26)22-15-6-4-14(10-25)5-7-15/h8-9,14-15,25H,4-7,10H2,1-3H3,(H,22,26)
InChIKeyAPZMMIZWTKMDDI-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.69
Rot. Bonds4

About 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 126772498) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID126772498
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC3CCC(CO)CC3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C21H25N3O4/c1-11-8-16(13(3)27-11)18-9-17(19-12(2)24-28-21(19)23-18)20(26)22-15-6-4-14(10-25)5-7-15/h8-9,14-15,25H,4-7,10H2,1-3H3,(H,22,26)
InChIKeyAPZMMIZWTKMDDI-UHFFFAOYSA-N
XLogP3.69
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 126772498) is 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC3CCC(CO)CC3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is APZMMIZWTKMDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-11-8-16(13(3)27-11)18-9-17(19-12(2)24-28-21(19)23-18)20(26)22-15-6-4-14(10-25)5-7-15/h8-9,14-15,25H,4-7,10H2,1-3H3,(H,22,26).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 126772498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).