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

C24H21FN4O2 — CID 91196099

IUPAC3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(F)cc2)cc1N(c1ccncc1)c1ncco1
InChIInChI=1S/C24H21FN4O2/c1-17-2-8-20(28-23(30)9-5-18-3-6-19(25)7-4-18)16-22(17)29(24-27-14-15-31-24)21-10-12-26-13-11-21/h2-4,6-8,10-16H,5,9H2,1H3,(H,28,30)
InChIKeySBWPLZSOBUYBDR-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.56
Rot. Bonds7

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

3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide (PubChem CID 91196099) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide
PubChem CID91196099
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(F)cc2)cc1N(c1ccncc1)c1ncco1
InChIInChI=1S/C24H21FN4O2/c1-17-2-8-20(28-23(30)9-5-18-3-6-19(25)7-4-18)16-22(17)29(24-27-14-15-31-24)21-10-12-26-13-11-21/h2-4,6-8,10-16H,5,9H2,1H3,(H,28,30)
InChIKeySBWPLZSOBUYBDR-UHFFFAOYSA-N
XLogP5.56
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-7-[(5-methyl-1,3-oxazol-2-yl)amino]-3-phenyl-1,6-naphthyridin-2-one
CID 73506797
1-(4-Fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]ethanone
CID 11965525
2-[N,4-dimethyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]anilino]-1-(4-fluorophenyl)ethanone
CID 11965526
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
(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-3-phenylpropanamide
CID 58541774
[4-[[4-(4-Fluoroanilino)pyrimidin-2-yl]amino]phenyl]-[3-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone
CID 59274812
3-(4-fluorophenyl)-N-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]propanamide
CID 59302867
1-[4-Methyl-3-[(5-propyl-1,3-oxazol-2-yl)amino]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 59314447
2,6-difluoro-N-[5-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
CID 59785780
[4-[[4-(4-Fluoroanilino)pyrimidin-2-yl]amino]phenyl]-[4-[1-(1,3-oxazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 68586369

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide (CID 91196099) is 3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide is Cc1ccc(NC(=O)CCc2ccc(F)cc2)cc1N(c1ccncc1)c1ncco1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide?
The InChIKey is SBWPLZSOBUYBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-17-2-8-20(28-23(30)9-5-18-3-6-19(25)7-4-18)16-22(17)29(24-27-14-15-31-24)21-10-12-26-13-11-21/h2-4,6-8,10-16H,5,9H2,1H3,(H,28,30).
What are the key properties of 3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide?
3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide has a molecular weight of 416.46 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]propanamide is sourced from PubChem (CID 91196099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).