N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C15H19N3O3 — CID 64927116

IUPACN-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCC3CCCCC3O)cc12
InChIInChI=1S/C15H19N3O3/c1-9-12-6-11(8-17-15(12)21-18-9)14(20)16-7-10-4-2-3-5-13(10)19/h6,8,10,13,19H,2-5,7H2,1H3,(H,16,20)
InChIKeyLLALSWOQXVKAOQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.81
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 64927116) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID64927116
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCC3CCCCC3O)cc12
InChIInChI=1S/C15H19N3O3/c1-9-12-6-11(8-17-15(12)21-18-9)14(20)16-7-10-4-2-3-5-13(10)19/h6,8,10,13,19H,2-5,7H2,1H3,(H,16,20)
InChIKeyLLALSWOQXVKAOQ-UHFFFAOYSA-N
XLogP1.81
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 64927116) is N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)NCC3CCCCC3O)cc12.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is LLALSWOQXVKAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-12-6-11(8-17-15(12)21-18-9)14(20)16-7-10-4-2-3-5-13(10)19/h6,8,10,13,19H,2-5,7H2,1H3,(H,16,20).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 64927116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).