3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H15N3O3 — CID 3245136

IUPAC3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2=NOC(C(=O)Nc3cccnc3)C2)c1
InChIInChI=1S/C16H15N3O3/c1-21-13-6-2-4-11(8-13)14-9-15(22-19-14)16(20)18-12-5-3-7-17-10-12/h2-8,10,15H,9H2,1H3,(H,18,20)
InChIKeyOAYLZJHVKRLXBQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.22
Rot. Bonds4

About 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3245136) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3245136
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2=NOC(C(=O)Nc3cccnc3)C2)c1
InChIInChI=1S/C16H15N3O3/c1-21-13-6-2-4-11(8-13)14-9-15(22-19-14)16(20)18-12-5-3-7-17-10-12/h2-8,10,15H,9H2,1H3,(H,18,20)
InChIKeyOAYLZJHVKRLXBQ-UHFFFAOYSA-N
XLogP2.22
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3245136) is 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cccc(C2=NOC(C(=O)Nc3cccnc3)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OAYLZJHVKRLXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-13-6-2-4-11(8-13)14-9-15(22-19-14)16(20)18-12-5-3-7-17-10-12/h2-8,10,15H,9H2,1H3,(H,18,20).
What are the key properties of 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3245136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).