4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile

C14H10F6N2O3 — CID 177065078

IUPAC4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile
SMILESCOC(CC1N=C(c2c(F)c(F)c(C#N)c(F)c2F)OC1O)C(F)F
InChIInChI=1S/C14H10F6N2O3/c1-24-6(12(19)20)2-5-14(23)25-13(22-5)7-10(17)8(15)4(3-21)9(16)11(7)18/h5-6,12,14,23H,2H2,1H3
InChIKeyOSRQUDMXYSRLGZ-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.25
Rot. Bonds5

About 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile

4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile (PubChem CID 177065078) has the molecular formula C14H10F6N2O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile.

Molecular Properties

Compound Name4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile
PubChem CID177065078
Molecular FormulaC14H10F6N2O3
Molecular Weight368.23 g/mol
Exact Mass368.06
IUPAC Name4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile
SMILESCOC(CC1N=C(c2c(F)c(F)c(C#N)c(F)c2F)OC1O)C(F)F
InChIInChI=1S/C14H10F6N2O3/c1-24-6(12(19)20)2-5-14(23)25-13(22-5)7-10(17)8(15)4(3-21)9(16)11(7)18/h5-6,12,14,23H,2H2,1H3
InChIKeyOSRQUDMXYSRLGZ-UHFFFAOYSA-N
XLogP2.25
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile?
The IUPAC name of 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile (CID 177065078) is 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile.
What is the SMILES notation for 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile?
The canonical SMILES for 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile is COC(CC1N=C(c2c(F)c(F)c(C#N)c(F)c2F)OC1O)C(F)F.
What is the InChIKey of 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile?
The InChIKey is OSRQUDMXYSRLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O3/c1-24-6(12(19)20)2-5-14(23)25-13(22-5)7-10(17)8(15)4(3-21)9(16)11(7)18/h5-6,12,14,23H,2H2,1H3.
What are the key properties of 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile?
4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile has a molecular weight of 368.23 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,3-difluoro-2-methoxypropyl)-5-hydroxy-4,5-dihydro-1,3-oxazol-2-yl]-2,3,5,6-tetrafluorobenzonitrile is sourced from PubChem (CID 177065078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).