5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

C16H13N3O3 — CID 4519032

IUPAC5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccnc3)no2)c1
InChIInChI=1S/C16H13N3O3/c1-21-13-6-2-4-11(8-13)15-9-14(19-22-15)16(20)18-12-5-3-7-17-10-12/h2-10H,1H3,(H,18,20)
InChIKeyIGSQNTKIWGTFSG-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.00
Rot. Bonds4

About 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 4519032) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID4519032
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccnc3)no2)c1
InChIInChI=1S/C16H13N3O3/c1-21-13-6-2-4-11(8-13)15-9-14(19-22-15)16(20)18-12-5-3-7-17-10-12/h2-10H,1H3,(H,18,20)
InChIKeyIGSQNTKIWGTFSG-UHFFFAOYSA-N
XLogP3.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 4519032) is 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cccnc3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IGSQNTKIWGTFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-21-13-6-2-4-11(8-13)15-9-14(19-22-15)16(20)18-12-5-3-7-17-10-12/h2-10H,1H3,(H,18,20).
What are the key properties of 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4519032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).