1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one

C23H14F4N2O3 — CID 67256618

IUPAC1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one
SMILESO=c1ccc(-c2oc(C3(O)CC3)nc2-c2ccc(F)cc2F)cn1-c1c(F)cccc1F
InChIInChI=1S/C23H14F4N2O3/c24-13-5-6-14(17(27)10-13)19-21(32-22(28-19)23(31)8-9-23)12-4-7-18(30)29(11-12)20-15(25)2-1-3-16(20)26/h1-7,10-11,31H,8-9H2
InChIKeyNMYRCEIFAWMHCZ-UHFFFAOYSA-N
MW442.37 g/mol
LogP4.70
Rot. Bonds4

About 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one

1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one (PubChem CID 67256618) has the molecular formula C23H14F4N2O3 and a molecular weight of 442.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one
PubChem CID67256618
Molecular FormulaC23H14F4N2O3
Molecular Weight442.37 g/mol
Exact Mass442.09
IUPAC Name1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one
SMILESO=c1ccc(-c2oc(C3(O)CC3)nc2-c2ccc(F)cc2F)cn1-c1c(F)cccc1F
InChIInChI=1S/C23H14F4N2O3/c24-13-5-6-14(17(27)10-13)19-21(32-22(28-19)23(31)8-9-23)12-4-7-18(30)29(11-12)20-15(25)2-1-3-16(20)26/h1-7,10-11,31H,8-9H2
InChIKeyNMYRCEIFAWMHCZ-UHFFFAOYSA-N
XLogP4.70
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one
CID 16666496
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one
CID 59009932
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67255925
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one
CID 67257077
5-[5-(2,4-difluorophenyl)-2-(4-oxocyclohexyl)-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 67254588
5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 67254776
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67254872
5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 11691162
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67253911
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67256253
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 68688110
1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one
CID 149191220

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one (CID 67256618) is 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one is O=c1ccc(-c2oc(C3(O)CC3)nc2-c2ccc(F)cc2F)cn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one?
The InChIKey is NMYRCEIFAWMHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O3/c24-13-5-6-14(17(27)10-13)19-21(32-22(28-19)23(31)8-9-23)12-4-7-18(30)29(11-12)20-15(25)2-1-3-16(20)26/h1-7,10-11,31H,8-9H2.
What are the key properties of 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one has a molecular weight of 442.37 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]pyridin-2-one is sourced from PubChem (CID 67256618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).