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

C21H19N3O4 — CID 143480165

IUPACN-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C3Nc4cccnc4O3)c2)cc1OC
InChIInChI=1S/C21H19N3O4/c1-26-17-9-8-13(12-18(17)27-2)19(25)23-15-6-3-5-14(11-15)20-24-16-7-4-10-22-21(16)28-20/h3-12,20,24H,1-2H3,(H,23,25)
InChIKeyAWJCTMNEUGJWDA-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.85
Rot. Bonds5

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

N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 143480165) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID143480165
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C3Nc4cccnc4O3)c2)cc1OC
InChIInChI=1S/C21H19N3O4/c1-26-17-9-8-13(12-18(17)27-2)19(25)23-15-6-3-5-14(11-15)20-24-16-7-4-10-22-21(16)28-20/h3-12,20,24H,1-2H3,(H,23,25)
InChIKeyAWJCTMNEUGJWDA-UHFFFAOYSA-N
XLogP3.85
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide (CID 143480165) is N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(C3Nc4cccnc4O3)c2)cc1OC.
What is the InChIKey of N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is AWJCTMNEUGJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-17-9-8-13(12-18(17)27-2)19(25)23-15-6-3-5-14(11-15)20-24-16-7-4-10-22-21(16)28-20/h3-12,20,24H,1-2H3,(H,23,25).
What are the key properties of N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 377.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 143480165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).