5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide

C20H19FN4O3 — CID 71737753

IUPAC5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(c1ccccn1)N(C)C(=O)c1cc(CNC(=O)c2ccccc2F)on1
InChIInChI=1S/C20H19FN4O3/c1-13(17-9-5-6-10-22-17)25(2)20(27)18-11-14(28-24-18)12-23-19(26)15-7-3-4-8-16(15)21/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeySBXROUXOLHSDTC-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.97
Rot. Bonds6

About 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide

5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 71737753) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID71737753
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(c1ccccn1)N(C)C(=O)c1cc(CNC(=O)c2ccccc2F)on1
InChIInChI=1S/C20H19FN4O3/c1-13(17-9-5-6-10-22-17)25(2)20(27)18-11-14(28-24-18)12-23-19(26)15-7-3-4-8-16(15)21/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeySBXROUXOLHSDTC-UHFFFAOYSA-N
XLogP2.97
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide (CID 71737753) is 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide is CC(c1ccccn1)N(C)C(=O)c1cc(CNC(=O)c2ccccc2F)on1.
What is the InChIKey of 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SBXROUXOLHSDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-13(17-9-5-6-10-22-17)25(2)20(27)18-11-14(28-24-18)12-23-19(26)15-7-3-4-8-16(15)21/h3-11,13H,12H2,1-2H3,(H,23,26).
What are the key properties of 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide?
5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71737753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).