2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide

C20H15N3O3 — CID 71819278

IUPAC2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide
SMILESCOc1cncc(-c2cccc(-c3nc4c(C(N)=O)cccc4o3)c2)c1
InChIInChI=1S/C20H15N3O3/c1-25-15-9-14(10-22-11-15)12-4-2-5-13(8-12)20-23-18-16(19(21)24)6-3-7-17(18)26-20/h2-11H,1H3,(H2,21,24)
InChIKeyXFTXBQWQPGKVAU-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.66
Rot. Bonds4

About 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide

2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide (PubChem CID 71819278) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide
PubChem CID71819278
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide
SMILESCOc1cncc(-c2cccc(-c3nc4c(C(N)=O)cccc4o3)c2)c1
InChIInChI=1S/C20H15N3O3/c1-25-15-9-14(10-22-11-15)12-4-2-5-13(8-12)20-23-18-16(19(21)24)6-3-7-17(18)26-20/h2-11H,1H3,(H2,21,24)
InChIKeyXFTXBQWQPGKVAU-UHFFFAOYSA-N
XLogP3.66
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide?
The IUPAC name of 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide (CID 71819278) is 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide is COc1cncc(-c2cccc(-c3nc4c(C(N)=O)cccc4o3)c2)c1.
What is the InChIKey of 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide?
The InChIKey is XFTXBQWQPGKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-15-9-14(10-22-11-15)12-4-2-5-13(8-12)20-23-18-16(19(21)24)6-3-7-17(18)26-20/h2-11H,1H3,(H2,21,24).
What are the key properties of 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide?
2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 71819278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).