N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C14H18N4O3 — CID 71934582

IUPACN-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(C)(NC(=O)c1cc(C)nc2onc(C)c12)C(N)=O
InChIInChI=1S/C14H18N4O3/c1-5-14(4,13(15)20)17-11(19)9-6-7(2)16-12-10(9)8(3)18-21-12/h6H,5H2,1-4H3,(H2,15,20)(H,17,19)
InChIKeyVFEOWJDARYWCKY-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.22
Rot. Bonds4

About N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 71934582) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID71934582
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(C)(NC(=O)c1cc(C)nc2onc(C)c12)C(N)=O
InChIInChI=1S/C14H18N4O3/c1-5-14(4,13(15)20)17-11(19)9-6-7(2)16-12-10(9)8(3)18-21-12/h6H,5H2,1-4H3,(H2,15,20)(H,17,19)
InChIKeyVFEOWJDARYWCKY-UHFFFAOYSA-N
XLogP1.22
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 71934582) is N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCC(C)(NC(=O)c1cc(C)nc2onc(C)c12)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VFEOWJDARYWCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-5-14(4,13(15)20)17-11(19)9-6-7(2)16-12-10(9)8(3)18-21-12/h6H,5H2,1-4H3,(H2,15,20)(H,17,19).
What are the key properties of N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 71934582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).