2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole

C22H17F2NO2 — CID 167550722

IUPAC2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(COc3ccccc3)cc2)CO1
InChIInChI=1S/C22H17F2NO2/c23-18-7-4-8-19(24)21(18)22-25-20(14-27-22)16-11-9-15(10-12-16)13-26-17-5-2-1-3-6-17/h1-12,20H,13-14H2
InChIKeyPIOIOZCAKDMCEY-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.06
Rot. Bonds5

About 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 167550722) has the molecular formula C22H17F2NO2 and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID167550722
Molecular FormulaC22H17F2NO2
Molecular Weight365.38 g/mol
Exact Mass365.12
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(COc3ccccc3)cc2)CO1
InChIInChI=1S/C22H17F2NO2/c23-18-7-4-8-19(24)21(18)22-25-20(14-27-22)16-11-9-15(10-12-16)13-26-17-5-2-1-3-6-17/h1-12,20H,13-14H2
InChIKeyPIOIOZCAKDMCEY-UHFFFAOYSA-N
XLogP5.06
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007837
2-(2,6-difluorophenyl)-4-[4-[4-(2,2,2-trifluoroethoxy)phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 71739604
4-[4-(4-chlorophenoxy)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 71739475
(4S)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 68711327
(4R)-4-(4-phenylmethoxyphenyl)-2-[[(4R)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 177495917
4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323741
4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]benzenethiol
CID 15452320
4-[[[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]methyldisulfanyl]methyl]-3,5-dimethyl-1,2-oxazole
CID 168877472
4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-ol
CID 15390331
[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] propanoate
CID 22087383
[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl] 4-fluorobenzenesulfonate
CID 166985609
2-(2,6-difluorophenyl)-4-[4-[(6-methoxyindol-1-yl)methyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 164835865

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 167550722) is 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(COc3ccccc3)cc2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is PIOIOZCAKDMCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO2/c23-18-7-4-8-19(24)21(18)22-25-20(14-27-22)16-11-9-15(10-12-16)13-26-17-5-2-1-3-6-17/h1-12,20H,13-14H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 365.38 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 167550722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).