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

C16H15N3O2 — CID 655274

IUPACN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C16H15N3O2/c1-2-4-15(20)18-12-6-7-14-13(9-12)19-16(21-14)11-5-3-8-17-10-11/h3,5-10H,2,4H2,1H3,(H,18,20)
InChIKeyLOIKNWPFNIRTAC-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.63
Rot. Bonds4

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

N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide (PubChem CID 655274) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide
PubChem CID655274
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C16H15N3O2/c1-2-4-15(20)18-12-6-7-14-13(9-12)19-16(21-14)11-5-3-8-17-10-11/h3,5-10H,2,4H2,1H3,(H,18,20)
InChIKeyLOIKNWPFNIRTAC-UHFFFAOYSA-N
XLogP3.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide (CID 655274) is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide is CCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is LOIKNWPFNIRTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-4-15(20)18-12-6-7-14-13(9-12)19-16(21-14)11-5-3-8-17-10-11/h3,5-10H,2,4H2,1H3,(H,18,20).
What are the key properties of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide?
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 281.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 655274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).