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

C12H20N2O — CID 65181714

IUPACN-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C2CCC2)o1
InChIInChI=1S/C12H20N2O/c1-9(2)6-13-8-12-14-7-11(15-12)10-4-3-5-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyWITKOLFCKYUTIN-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.69
Rot. Bonds5

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

N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 65181714) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID65181714
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C2CCC2)o1
InChIInChI=1S/C12H20N2O/c1-9(2)6-13-8-12-14-7-11(15-12)10-4-3-5-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyWITKOLFCKYUTIN-UHFFFAOYSA-N
XLogP2.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine (CID 65181714) is N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncc(C2CCC2)o1.
What is the InChIKey of N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is WITKOLFCKYUTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)6-13-8-12-14-7-11(15-12)10-4-3-5-10/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65181714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).