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

C22H15N3O3 — CID 1129039

IUPACN-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(NC(=O)c2cc3ccccc3o2)cccc1-c1nc2ncccc2o1
InChIInChI=1S/C22H15N3O3/c1-13-15(22-25-20-18(28-22)10-5-11-23-20)7-4-8-16(13)24-21(26)19-12-14-6-2-3-9-17(14)27-19/h2-12H,1H3,(H,24,26)
InChIKeySEGDOSJBHXUFMP-UHFFFAOYSA-N
MW369.38 g/mol
LogP5.20
Rot. Bonds3

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

N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1129039) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1129039
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC NameN-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(NC(=O)c2cc3ccccc3o2)cccc1-c1nc2ncccc2o1
InChIInChI=1S/C22H15N3O3/c1-13-15(22-25-20-18(28-22)10-5-11-23-20)7-4-8-16(13)24-21(26)19-12-14-6-2-3-9-17(14)27-19/h2-12H,1H3,(H,24,26)
InChIKeySEGDOSJBHXUFMP-UHFFFAOYSA-N
XLogP5.20
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide (CID 1129039) is N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(NC(=O)c2cc3ccccc3o2)cccc1-c1nc2ncccc2o1.
What is the InChIKey of N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SEGDOSJBHXUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c1-13-15(22-25-20-18(28-22)10-5-11-23-20)7-4-8-16(13)24-21(26)19-12-14-6-2-3-9-17(14)27-19/h2-12H,1H3,(H,24,26).
What are the key properties of N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1129039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).