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

C18H19N3O2 — CID 3163534

IUPAC2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H19N3O2/c1-11-7-8-12(10-13(11)20-17(22)18(2,3)4)16-21-15-14(23-16)6-5-9-19-15/h5-10H,1-4H3,(H,20,22)
InChIKeyPLYIRLJAHFTRBS-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.18
Rot. Bonds2

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

2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 3163534) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
PubChem CID3163534
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H19N3O2/c1-11-7-8-12(10-13(11)20-17(22)18(2,3)4)16-21-15-14(23-16)6-5-9-19-15/h5-10H,1-4H3,(H,20,22)
InChIKeyPLYIRLJAHFTRBS-UHFFFAOYSA-N
XLogP4.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide (CID 3163534) is 2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide is Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is PLYIRLJAHFTRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-7-8-12(10-13(11)20-17(22)18(2,3)4)16-21-15-14(23-16)6-5-9-19-15/h5-10H,1-4H3,(H,20,22).
What are the key properties of 2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 3163534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).