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

C16H14ClN3O2 — CID 17219378

IUPACN-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c1-9(2)15(21)19-10-5-6-11(12(17)8-10)16-20-14-13(22-16)4-3-7-18-14/h3-9H,1-2H3,(H,19,21)
InChIKeyYIHXTVJXAUUMHQ-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.14
Rot. Bonds3

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

N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide (PubChem CID 17219378) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
PubChem CID17219378
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c1-9(2)15(21)19-10-5-6-11(12(17)8-10)16-20-14-13(22-16)4-3-7-18-14/h3-9H,1-2H3,(H,19,21)
InChIKeyYIHXTVJXAUUMHQ-UHFFFAOYSA-N
XLogP4.14
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 7333470
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CID 6045400
2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide
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CID 15998206
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2-[3-hydroxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)anilino]ethene-1,1,2-tricarbonitrile
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N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 25239444
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 3601159
2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide (CID 17219378) is N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is YIHXTVJXAUUMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-9(2)15(21)19-10-5-6-11(12(17)8-10)16-20-14-13(22-16)4-3-7-18-14/h3-9H,1-2H3,(H,19,21).
What are the key properties of N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide?
N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 315.76 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 17219378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).