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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Related Compounds

2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
2-(3-Pyridyl)benzoxazole
CID 16803
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436
(2s)-2-(Naphthalen-1-Yloxy)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]propanamide
CID 71297189
2-chloro-N-[2-(5-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 168286941
2-chloro-N-[2-(6-ethyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 168295652
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
2-(4-Dimethylamino-phenyl)-benzooxazol-5-ylamine
CID 735993
N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 750297
Acetamide, n-(2-methyl-5-benzoxazolyl)-
CID 275495

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).