1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide

C22H21N3O4 — CID 143409751

IUPAC1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3cccnc3o2)c1.COc1ccccc1OC
InChIInChI=1S/C14H11N3O2.C8H10O2/c1-9(18)16-11-5-2-4-10(8-11)13-17-12-6-3-7-15-14(12)19-13;1-9-7-5-3-4-6-8(7)10-2/h2-8H,1H3,(H,16,18);3-6H,1-2H3
InChIKeyYVTMBFCNLYZWLJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.55
Rot. Bonds4

About 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide

1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 143409751) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
PubChem CID143409751
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3cccnc3o2)c1.COc1ccccc1OC
InChIInChI=1S/C14H11N3O2.C8H10O2/c1-9(18)16-11-5-2-4-10(8-11)13-17-12-6-3-7-15-14(12)19-13;1-9-7-5-3-4-6-8(7)10-2/h2-8H,1H3,(H,16,18);3-6H,1-2H3
InChIKeyYVTMBFCNLYZWLJ-UHFFFAOYSA-N
XLogP4.55
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (CID 143409751) is 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2nc3cccnc3o2)c1.COc1ccccc1OC.
What is the InChIKey of 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is YVTMBFCNLYZWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2.C8H10O2/c1-9(18)16-11-5-2-4-10(8-11)13-17-12-6-3-7-15-14(12)19-13;1-9-7-5-3-4-6-8(7)10-2/h2-8H,1H3,(H,16,18);3-6H,1-2H3.
What are the key properties of 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 143409751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).