3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

C21H17N3O4 — CID 1123579

IUPAC3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1OC
InChIInChI=1S/C21H17N3O4/c1-26-18-7-5-13(10-19(18)27-2)20(25)23-15-6-8-17-16(11-15)24-21(28-17)14-4-3-9-22-12-14/h3-12H,1-2H3,(H,23,25)
InChIKeyKJQGNSAVFWNSCJ-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.16
Rot. Bonds5

About 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 1123579) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID1123579
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1OC
InChIInChI=1S/C21H17N3O4/c1-26-18-7-5-13(10-19(18)27-2)20(25)23-15-6-8-17-16(11-15)24-21(28-17)14-4-3-9-22-12-14/h3-12H,1-2H3,(H,23,25)
InChIKeyKJQGNSAVFWNSCJ-UHFFFAOYSA-N
XLogP4.16
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (CID 1123579) is 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is KJQGNSAVFWNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-26-18-7-5-13(10-19(18)27-2)20(25)23-15-6-8-17-16(11-15)24-21(28-17)14-4-3-9-22-12-14/h3-12H,1-2H3,(H,23,25).
What are the key properties of 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 375.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 1123579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).