3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide

C17H17N3O2 — CID 659689

IUPAC3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C17H17N3O2/c1-11(2)9-16(21)19-13-3-4-15-14(10-13)20-17(22-15)12-5-7-18-8-6-12/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyQOVZOJSJODMHSI-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.87
Rot. Bonds4

About 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide

3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide (PubChem CID 659689) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
PubChem CID659689
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C17H17N3O2/c1-11(2)9-16(21)19-13-3-4-15-14(10-13)20-17(22-15)12-5-7-18-8-6-12/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyQOVZOJSJODMHSI-UHFFFAOYSA-N
XLogP3.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide (CID 659689) is 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide is CC(C)CC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is QOVZOJSJODMHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)9-16(21)19-13-3-4-15-14(10-13)20-17(22-15)12-5-7-18-8-6-12/h3-8,10-11H,9H2,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide?
3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 295.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 659689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).