N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine

C16H19N3O2 — CID 56775697

IUPACN-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESc1ccc(-c2cc(CC3(NC4CCC4)COC3)no2)nc1
InChIInChI=1S/C16H19N3O2/c1-2-7-17-14(6-1)15-8-13(19-21-15)9-16(10-20-11-16)18-12-4-3-5-12/h1-2,6-8,12,18H,3-5,9-11H2
InChIKeyACIXWNNCNKKXMN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.19
Rot. Bonds5

About N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine

N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (PubChem CID 56775697) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
PubChem CID56775697
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
SMILESc1ccc(-c2cc(CC3(NC4CCC4)COC3)no2)nc1
InChIInChI=1S/C16H19N3O2/c1-2-7-17-14(6-1)15-8-13(19-21-15)9-16(10-20-11-16)18-12-4-3-5-12/h1-2,6-8,12,18H,3-5,9-11H2
InChIKeyACIXWNNCNKKXMN-UHFFFAOYSA-N
XLogP2.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The IUPAC name of N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine (CID 56775697) is N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is c1ccc(-c2cc(CC3(NC4CCC4)COC3)no2)nc1.
What is the InChIKey of N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
The InChIKey is ACIXWNNCNKKXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-7-17-14(6-1)15-8-13(19-21-15)9-16(10-20-11-16)18-12-4-3-5-12/h1-2,6-8,12,18H,3-5,9-11H2.
What are the key properties of N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine?
N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine has a molecular weight of 285.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 56775697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).