1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine

C13H16N2O — CID 79846182

IUPAC1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1cccc2oc(CC3(N)CCC3)nc12
InChIInChI=1S/C13H16N2O/c1-9-4-2-5-10-12(9)15-11(16-10)8-13(14)6-3-7-13/h2,4-5H,3,6-8,14H2,1H3
InChIKeyZAXOPLUDHAEKDS-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.56
Rot. Bonds2

About 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine

1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 79846182) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID79846182
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1cccc2oc(CC3(N)CCC3)nc12
InChIInChI=1S/C13H16N2O/c1-9-4-2-5-10-12(9)15-11(16-10)8-13(14)6-3-7-13/h2,4-5H,3,6-8,14H2,1H3
InChIKeyZAXOPLUDHAEKDS-UHFFFAOYSA-N
XLogP2.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine (CID 79846182) is 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine is Cc1cccc2oc(CC3(N)CCC3)nc12.
What is the InChIKey of 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is ZAXOPLUDHAEKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-4-2-5-10-12(9)15-11(16-10)8-13(14)6-3-7-13/h2,4-5H,3,6-8,14H2,1H3.
What are the key properties of 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine?
1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-benzoxazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79846182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).