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

C15H13N3O2 — CID 774918

IUPACN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C15H13N3O2/c1-2-14(19)17-11-5-6-13-12(8-11)18-15(20-13)10-4-3-7-16-9-10/h3-9H,2H2,1H3,(H,17,19)
InChIKeyULWYVIRCQIHATC-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.24
Rot. Bonds3

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

N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 774918) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID774918
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C15H13N3O2/c1-2-14(19)17-11-5-6-13-12(8-11)18-15(20-13)10-4-3-7-16-9-10/h3-9H,2H2,1H3,(H,17,19)
InChIKeyULWYVIRCQIHATC-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.24
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)propanamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide (CID 774918) is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide is CCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is ULWYVIRCQIHATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-14(19)17-11-5-6-13-12(8-11)18-15(20-13)10-4-3-7-16-9-10/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide?
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 267.29 g/mol, XLogP of 3.24, 3 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)propanamide is sourced from PubChem (CID 774918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).