N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

C16H23ClN4O2 — CID 120504754

IUPACN-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)CN)c12.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-8(2)14-13-11(15(21)18-9(3)7-17)6-12(10-4-5-10)19-16(13)22-20-14;/h6,8-10H,4-5,7,17H2,1-3H3,(H,18,21);1H/t9-;/m0./s1
InChIKeyZKHZZAXIJCAJKY-FVGYRXGTSA-N
MW338.84 g/mol
LogP2.72
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 120504754) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
PubChem CID120504754
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)CN)c12.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-8(2)14-13-11(15(21)18-9(3)7-17)6-12(10-4-5-10)19-16(13)22-20-14;/h6,8-10H,4-5,7,17H2,1-3H3,(H,18,21);1H/t9-;/m0./s1
InChIKeyZKHZZAXIJCAJKY-FVGYRXGTSA-N
XLogP2.72
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120504755
6-cyclopropyl-N-(1-hydroxypropan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78875339
N-(1-amino-4-methylpentan-2-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119586985
N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627996
6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110891714
(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368348
N-(4-aminocyclohexyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119476558
6-cyclopropyl-N-(3-hydroxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78876018
methyl (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-2-(3-hydroxyphenyl)acetate
CID 97251352
N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119618461
(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561721
6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71880326

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 120504754) is N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)CN)c12.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The InChIKey is ZKHZZAXIJCAJKY-FVGYRXGTSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-8(2)14-13-11(15(21)18-9(3)7-17)6-12(10-4-5-10)19-16(13)22-20-14;/h6,8-10H,4-5,7,17H2,1-3H3,(H,18,21);1H/t9-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120504754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).