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

C18H18ClN3O2 — CID 3874044

IUPACN-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl
InChIInChI=1S/C18H18ClN3O2/c1-2-3-4-7-16(23)21-14-11-12(8-9-13(14)19)18-22-17-15(24-18)6-5-10-20-17/h5-6,8-11H,2-4,7H2,1H3,(H,21,23)
InChIKeyXPOZZKAUANHWSJ-UHFFFAOYSA-N
MW343.81 g/mol
LogP5.06
Rot. Bonds6

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

N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide (PubChem CID 3874044) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
PubChem CID3874044
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl
InChIInChI=1S/C18H18ClN3O2/c1-2-3-4-7-16(23)21-14-11-12(8-9-13(14)19)18-22-17-15(24-18)6-5-10-20-17/h5-6,8-11H,2-4,7H2,1H3,(H,21,23)
InChIKeyXPOZZKAUANHWSJ-UHFFFAOYSA-N
XLogP5.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.81
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide
CID 17100754
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1227107
3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2292092
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334867
3,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1337028
4-bromo-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 3891570
2,4-dichloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1337970
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethylbenzamide
CID 1284839
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 6496968
N-[4-hydroxy-3-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]pentanamide
CID 135579607
3-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 3415669
2-(4-chlorophenyl)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 6497000

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide?
The IUPAC name of N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide (CID 3874044) is N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide.
What is the SMILES notation for N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide?
The canonical SMILES for N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide is CCCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide?
The InChIKey is XPOZZKAUANHWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-2-3-4-7-16(23)21-14-11-12(8-9-13(14)19)18-22-17-15(24-18)6-5-10-20-17/h5-6,8-11H,2-4,7H2,1H3,(H,21,23).
What are the key properties of N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide?
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide has a molecular weight of 343.81 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]hexanamide is sourced from PubChem (CID 3874044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).