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

C20H15N3O3 — CID 699239

IUPAC4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C20H15N3O3/c1-25-16-7-4-13(5-8-16)19(24)22-15-6-9-18-17(11-15)23-20(26-18)14-3-2-10-21-12-14/h2-12H,1H3,(H,22,24)
InChIKeySEQHVJYHFBXFJF-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.15
Rot. Bonds4

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

4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 699239) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID699239
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C20H15N3O3/c1-25-16-7-4-13(5-8-16)19(24)22-15-6-9-18-17(11-15)23-20(26-18)14-3-2-10-21-12-14/h2-12H,1H3,(H,22,24)
InChIKeySEQHVJYHFBXFJF-UHFFFAOYSA-N
XLogP4.15
TPSA77.25 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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (CID 699239) is 4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1.
What is the InChIKey of 4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is SEQHVJYHFBXFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-16-7-4-13(5-8-16)19(24)22-15-6-9-18-17(11-15)23-20(26-18)14-3-2-10-21-12-14/h2-12H,1H3,(H,22,24).
What are the key properties of 4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 345.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 699239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).