2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole

C21H26FNO4 — CID 11552542

IUPAC2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CO[C@H]3CCC[C@@H](OC4CCCCO4)C3)co2)cc1
InChIInChI=1S/C21H26FNO4/c22-16-9-7-15(8-10-16)21-23-17(14-26-21)13-25-18-4-3-5-19(12-18)27-20-6-1-2-11-24-20/h7-10,14,18-20H,1-6,11-13H2/t18-,19+,20?/m0/s1
InChIKeyVXNJBCOUXHSFNC-ABZYKWASSA-N
MW375.44 g/mol
LogP4.85
Rot. Bonds6

About 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole

2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole (PubChem CID 11552542) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole
PubChem CID11552542
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CO[C@H]3CCC[C@@H](OC4CCCCO4)C3)co2)cc1
InChIInChI=1S/C21H26FNO4/c22-16-9-7-15(8-10-16)21-23-17(14-26-21)13-25-18-4-3-5-19(12-18)27-20-6-1-2-11-24-20/h7-10,14,18-20H,1-6,11-13H2/t18-,19+,20?/m0/s1
InChIKeyVXNJBCOUXHSFNC-ABZYKWASSA-N
XLogP4.85
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole (CID 11552542) is 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole is Fc1ccc(-c2nc(CO[C@H]3CCC[C@@H](OC4CCCCO4)C3)co2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole?
The InChIKey is VXNJBCOUXHSFNC-ABZYKWASSA-N. The full InChI is InChI=1S/C21H26FNO4/c22-16-9-7-15(8-10-16)21-23-17(14-26-21)13-25-18-4-3-5-19(12-18)27-20-6-1-2-11-24-20/h7-10,14,18-20H,1-6,11-13H2/t18-,19+,20?/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole?
2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole has a molecular weight of 375.44 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[(1S,3R)-3-(oxan-2-yloxy)cyclohexyl]oxymethyl]-1,3-oxazole is sourced from PubChem (CID 11552542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).