2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide

C23H19FN4O2 — CID 91264981

IUPAC2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1N(c1cccnc1)c1ncco1
InChIInChI=1S/C23H19FN4O2/c1-16-4-9-19(27-22(29)13-17-5-7-18(24)8-6-17)14-21(16)28(23-26-11-12-30-23)20-3-2-10-25-15-20/h2-12,14-15H,13H2,1H3,(H,27,29)
InChIKeyJZOMLEKTEMKIQG-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.17
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide (PubChem CID 91264981) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide
PubChem CID91264981
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1N(c1cccnc1)c1ncco1
InChIInChI=1S/C23H19FN4O2/c1-16-4-9-19(27-22(29)13-17-5-7-18(24)8-6-17)14-21(16)28(23-26-11-12-30-23)20-3-2-10-25-15-20/h2-12,14-15H,13H2,1H3,(H,27,29)
InChIKeyJZOMLEKTEMKIQG-UHFFFAOYSA-N
XLogP5.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone
CID 11965526
1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-fluoro-4-methyl-5-[1-methyl-7-(methylamino)-2-oxo-4H-pyrido[4,3-d]pyrimidin-3-yl]phenyl]urea
CID 24810939
2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 24831434
3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
CID 24831435
[4-[[4-(4-Fluoroanilino)pyrimidin-2-yl]amino]phenyl]-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone
CID 24880248
Cyclohexyl-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 57433680
2-(4-Fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
CID 57433682
1-[4-[[4-[6-(4-Fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-3-phenylpropan-1-one
CID 57433688
[4-(Dimethylamino)phenyl]-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 57433709
1-[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-3-phenylpropan-1-one
CID 57463096
[4-(dimethylamino)phenyl]-[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 57463097
cyclohexyl-[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 57590787

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide (CID 91264981) is 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide is Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1N(c1cccnc1)c1ncco1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide?
The InChIKey is JZOMLEKTEMKIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-16-4-9-19(27-22(29)13-17-5-7-18(24)8-6-17)14-21(16)28(23-26-11-12-30-23)20-3-2-10-25-15-20/h2-12,14-15H,13H2,1H3,(H,27,29).
What are the key properties of 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 91264981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).