3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H17N3O3 — CID 171133393

IUPAC3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3cnccc3C)C2)cc1
InChIInChI=1S/C17H17N3O3/c1-11-7-8-18-10-15(11)19-17(21)16-9-14(20-23-16)12-3-5-13(22-2)6-4-12/h3-8,10,16H,9H2,1-2H3,(H,19,21)
InChIKeyDWYVIGNWTWUMIU-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.53
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 171133393) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID171133393
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3cnccc3C)C2)cc1
InChIInChI=1S/C17H17N3O3/c1-11-7-8-18-10-15(11)19-17(21)16-9-14(20-23-16)12-3-5-13(22-2)6-4-12/h3-8,10,16H,9H2,1-2H3,(H,19,21)
InChIKeyDWYVIGNWTWUMIU-UHFFFAOYSA-N
XLogP2.53
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 171133393) is 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)Nc3cnccc3C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DWYVIGNWTWUMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-7-8-18-10-15(11)19-17(21)16-9-14(20-23-16)12-3-5-13(22-2)6-4-12/h3-8,10,16H,9H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 171133393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).