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

C23H19FN4O2 — CID 91391575

IUPACN-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(F)cc2)cc1N(c1ccncc1)c1ncco1
InChIInChI=1S/C23H19FN4O2/c1-16-2-3-17(15-22(29)27-19-6-4-18(24)5-7-19)14-21(16)28(23-26-12-13-30-23)20-8-10-25-11-9-20/h2-14H,15H2,1H3,(H,27,29)
InChIKeyVNZQIROGAQHIFV-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.17
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide (PubChem CID 91391575) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide
PubChem CID91391575
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(F)cc2)cc1N(c1ccncc1)c1ncco1
InChIInChI=1S/C23H19FN4O2/c1-16-2-3-17(15-22(29)27-19-6-4-18(24)5-7-19)14-21(16)28(23-26-12-13-30-23)20-8-10-25-11-9-20/h2-14H,15H2,1H3,(H,27,29)
InChIKeyVNZQIROGAQHIFV-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

1-Ethyl-7-[(5-methyl-1,3-oxazol-2-yl)amino]-3-phenyl-1,6-naphthyridin-2-one
CID 73506797
1-(2-Tert-butyl-1,3-oxazol-5-yl)-3-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]urea
CID 24810941
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
1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110516
[4-[[4-(4-Fluoroanilino)pyrimidin-2-yl]amino]phenyl]-[3-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone
CID 59274812
N-(4-fluorophenyl)-2-[4-methyl-3-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]phenyl]acetamide
CID 59302874
4-Methyl-3-[[4-(1,3-oxazol-2-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 59606248
[4-[[4-(4-Fluoroanilino)pyrimidin-2-yl]amino]phenyl]-[4-[1-(1,3-oxazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 68586369
[4-[[4-(4-Fluoroanilino)pyrimidin-2-yl]amino]phenyl]-[3-[1-(1,3-oxazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 68588753
N-(3-fluoro-4-methylphenyl)-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide
CID 90701024

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide (CID 91391575) is N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide is Cc1ccc(CC(=O)Nc2ccc(F)cc2)cc1N(c1ccncc1)c1ncco1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide?
The InChIKey is VNZQIROGAQHIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-16-2-3-17(15-22(29)27-19-6-4-18(24)5-7-19)14-21(16)28(23-26-12-13-30-23)20-8-10-25-11-9-20/h2-14H,15H2,1H3,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide?
N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-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 N-(4-fluorophenyl)-2-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 91391575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).