1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C16H19N5O2 — CID 120864500

IUPAC1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1cc(-c2nc(C3(N)CCC3)no2)c2c(C(C)C)noc2n1
InChIInChI=1S/C16H19N5O2/c1-8(2)12-11-10(7-9(3)18-14(11)23-20-12)13-19-15(21-22-13)16(17)5-4-6-16/h7-8H,4-6,17H2,1-3H3
InChIKeyUKRHLVBNMXVGFR-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.04
Rot. Bonds3

About 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120864500) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120864500
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1cc(-c2nc(C3(N)CCC3)no2)c2c(C(C)C)noc2n1
InChIInChI=1S/C16H19N5O2/c1-8(2)12-11-10(7-9(3)18-14(11)23-20-12)13-19-15(21-22-13)16(17)5-4-6-16/h7-8H,4-6,17H2,1-3H3
InChIKeyUKRHLVBNMXVGFR-UHFFFAOYSA-N
XLogP3.04
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine with MolForge

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Related Compounds

1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104672150
1-[5-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863234
1-[5-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861370
1-[5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854020
1-[5-[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856823
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860215
1-[5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851406
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859270
5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 120861296
1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863440
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352936

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120864500) is 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1cc(-c2nc(C3(N)CCC3)no2)c2c(C(C)C)noc2n1.
What is the InChIKey of 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is UKRHLVBNMXVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-8(2)12-11-10(7-9(3)18-14(11)23-20-12)13-19-15(21-22-13)16(17)5-4-6-16/h7-8H,4-6,17H2,1-3H3.
What are the key properties of 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 313.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120864500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).