2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole

C23H24FNO3 — CID 21041569

IUPAC2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(COC3CCCC(OCc4ccccc4)C3)co2)cc1
InChIInChI=1S/C23H24FNO3/c24-19-11-9-18(10-12-19)23-25-20(16-28-23)15-27-22-8-4-7-21(13-22)26-14-17-5-2-1-3-6-17/h1-3,5-6,9-12,16,21-22H,4,7-8,13-15H2
InChIKeyBPYMXVDAUPSSPK-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.53
Rot. Bonds7

About 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole

2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole (PubChem CID 21041569) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole
PubChem CID21041569
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(COC3CCCC(OCc4ccccc4)C3)co2)cc1
InChIInChI=1S/C23H24FNO3/c24-19-11-9-18(10-12-19)23-25-20(16-28-23)15-27-22-8-4-7-21(13-22)26-14-17-5-2-1-3-6-17/h1-3,5-6,9-12,16,21-22H,4,7-8,13-15H2
InChIKeyBPYMXVDAUPSSPK-UHFFFAOYSA-N
XLogP5.53
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole (CID 21041569) is 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole is Fc1ccc(-c2nc(COC3CCCC(OCc4ccccc4)C3)co2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole?
The InChIKey is BPYMXVDAUPSSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c24-19-11-9-18(10-12-19)23-25-20(16-28-23)15-27-22-8-4-7-21(13-22)26-14-17-5-2-1-3-6-17/h1-3,5-6,9-12,16,21-22H,4,7-8,13-15H2.
What are the key properties of 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole?
2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole has a molecular weight of 381.45 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(3-phenylmethoxycyclohexyl)oxymethyl]-1,3-oxazole is sourced from PubChem (CID 21041569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).