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

C17H23N3O3 — CID 110008539

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)NC3(CO)CCCC3)c12
InChIInChI=1S/C17H23N3O3/c1-10(2)13-8-12(14-11(3)20-23-16(14)18-13)15(22)19-17(9-21)6-4-5-7-17/h8,10,21H,4-7,9H2,1-3H3,(H,19,22)
InChIKeyQBSRIQWHXDIKJZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.69
Rot. Bonds4

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

N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 110008539) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID110008539
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)NC3(CO)CCCC3)c12
InChIInChI=1S/C17H23N3O3/c1-10(2)13-8-12(14-11(3)20-23-16(14)18-13)15(22)19-17(9-21)6-4-5-7-17/h8,10,21H,4-7,9H2,1-3H3,(H,19,22)
InChIKeyQBSRIQWHXDIKJZ-UHFFFAOYSA-N
XLogP2.69
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 110008539) is N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)NC3(CO)CCCC3)c12.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QBSRIQWHXDIKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10(2)13-8-12(14-11(3)20-23-16(14)18-13)15(22)19-17(9-21)6-4-5-7-17/h8,10,21H,4-7,9H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 110008539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).