2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

C17H16N2O2 — CID 24752291

IUPAC2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C17H16N2O2/c1-11(2)16(20)18-13-8-9-15-14(10-13)19-17(21-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,20)
InChIKeyQSZRWTXXGVLQGA-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.09
Rot. Bonds3

About 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 24752291) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID24752291
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C17H16N2O2/c1-11(2)16(20)18-13-8-9-15-14(10-13)19-17(21-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,20)
InChIKeyQSZRWTXXGVLQGA-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 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (CID 24752291) is 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is CC(C)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is QSZRWTXXGVLQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)16(20)18-13-8-9-15-14(10-13)19-17(21-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide 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 2-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 24752291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).