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

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

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Related Compounds

N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678041
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
5-cyclopropyl-N-[1-[[4-[(5-fluoro-2-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155527818
5-cyclopropyl-N-[1-[[4-[(5-fluoro-3-pyridinyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155555167
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
N-benzyl-3-[(5-pyridin-4-yl-1,2-oxazol-3-yl)methylamino]benzamide
CID 11603404
N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25125725
5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 25126050
N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25126382
5-methyl-N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 25126710
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
(3S,6R)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-6-(oxazol-5-yl)piperazin-2-one
CID 68158458

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).