2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one

C12H14N2O2 — CID 70077251

IUPAC2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one
SMILESCCCC(N)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C12H14N2O2/c1-2-5-8(13)11(15)12-14-9-6-3-4-7-10(9)16-12/h3-4,6-8H,2,5,13H2,1H3
InChIKeyFXXDTNPYWHOEGI-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one

2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one (PubChem CID 70077251) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one
PubChem CID70077251
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one
SMILESCCCC(N)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C12H14N2O2/c1-2-5-8(13)11(15)12-14-9-6-3-4-7-10(9)16-12/h3-4,6-8H,2,5,13H2,1H3
InChIKeyFXXDTNPYWHOEGI-UHFFFAOYSA-N
XLogP2.14
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one (CID 70077251) is 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one is CCCC(N)C(=O)c1nc2ccccc2o1.
What is the InChIKey of 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one?
The InChIKey is FXXDTNPYWHOEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-5-8(13)11(15)12-14-9-6-3-4-7-10(9)16-12/h3-4,6-8H,2,5,13H2,1H3.
What are the key properties of 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one?
2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one has a molecular weight of 218.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one is sourced from PubChem (CID 70077251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).