N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

C17H16N2O2 — CID 763443

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C17H16N2O2/c1-11(2)16(20)18-13-7-5-6-12(10-13)17-19-14-8-3-4-9-15(14)21-17/h3-11H,1-2H3,(H,18,20)
InChIKeyQHWVPFFXFYFJEL-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.09
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 763443) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
PubChem CID763443
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C17H16N2O2/c1-11(2)16(20)18-13-7-5-6-12(10-13)17-19-14-8-3-4-9-15(14)21-17/h3-11H,1-2H3,(H,18,20)
InChIKeyQHWVPFFXFYFJEL-UHFFFAOYSA-N
XLogP4.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (CID 763443) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is QHWVPFFXFYFJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)16(20)18-13-7-5-6-12(10-13)17-19-14-8-3-4-9-15(14)21-17/h3-11H,1-2H3,(H,18,20).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 280.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 763443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).