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

C16H14ClN3O2 — CID 718618

IUPACN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C16H14ClN3O2/c1-2-4-14(21)19-10-6-7-12(17)11(9-10)16-20-15-13(22-16)5-3-8-18-15/h3,5-9H,2,4H2,1H3,(H,19,21)
InChIKeyRBHNFGMGFJHNPX-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.28
Rot. Bonds4

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

N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide (PubChem CID 718618) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
PubChem CID718618
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C16H14ClN3O2/c1-2-4-14(21)19-10-6-7-12(17)11(9-10)16-20-15-13(22-16)5-3-8-18-15/h3,5-9H,2,4H2,1H3,(H,19,21)
InChIKeyRBHNFGMGFJHNPX-UHFFFAOYSA-N
XLogP4.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide (CID 718618) is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1.
What is the InChIKey of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The InChIKey is RBHNFGMGFJHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-2-4-14(21)19-10-6-7-12(17)11(9-10)16-20-15-13(22-16)5-3-8-18-15/h3,5-9H,2,4H2,1H3,(H,19,21).
What are the key properties of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide has a molecular weight of 315.76 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 718618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).