N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide

C16H15N3O2 — CID 718610

IUPACN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C16H15N3O2/c1-2-5-14(20)18-12-7-3-6-11(10-12)16-19-15-13(21-16)8-4-9-17-15/h3-4,6-10H,2,5H2,1H3,(H,18,20)
InChIKeyKMDKJFMFOWMLNR-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.63
Rot. Bonds4

About N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide

N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide (PubChem CID 718610) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
PubChem CID718610
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C16H15N3O2/c1-2-5-14(20)18-12-7-3-6-11(10-12)16-19-15-13(21-16)8-4-9-17-15/h3-4,6-10H,2,5H2,1H3,(H,18,20)
InChIKeyKMDKJFMFOWMLNR-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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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
N-(4-Oxazolo[4,5-b]pyridin-2-yl-phenyl)-isobutyramide
CID 694846
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11639129
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone
CID 9972176
1-Oxazolo(4,5-b)pyridin-2-yl-octadec-9-yn-1-one
CID 9977214
1-[1,3]Oxazolo[4,5-b]pyridin-2-yloctan-1-one
CID 22486174

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide (CID 718610) is N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The InChIKey is KMDKJFMFOWMLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-5-14(20)18-12-7-3-6-11(10-12)16-19-15-13(21-16)8-4-9-17-15/h3-4,6-10H,2,5H2,1H3,(H,18,20).
What are the key properties of N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]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-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 718610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).