4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole

C18H14ClF2NO3 — CID 68981989

IUPAC4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole
SMILESFC(F)Oc1ccc(-c2nc(CCl)co2)cc1OCc1ccccc1
InChIInChI=1S/C18H14ClF2NO3/c19-9-14-11-24-17(22-14)13-6-7-15(25-18(20)21)16(8-13)23-10-12-4-2-1-3-5-12/h1-8,11,18H,9-10H2
InChIKeyUWLHIPBNOXECBW-UHFFFAOYSA-N
MW365.76 g/mol
LogP5.26
Rot. Bonds7

About 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole

4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole (PubChem CID 68981989) has the molecular formula C18H14ClF2NO3 and a molecular weight of 365.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole
PubChem CID68981989
Molecular FormulaC18H14ClF2NO3
Molecular Weight365.76 g/mol
Exact Mass365.06
IUPAC Name4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole
SMILESFC(F)Oc1ccc(-c2nc(CCl)co2)cc1OCc1ccccc1
InChIInChI=1S/C18H14ClF2NO3/c19-9-14-11-24-17(22-14)13-6-7-15(25-18(20)21)16(8-13)23-10-12-4-2-1-3-5-12/h1-8,11,18H,9-10H2
InChIKeyUWLHIPBNOXECBW-UHFFFAOYSA-N
XLogP5.26
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.76
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole (CID 68981989) is 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole is FC(F)Oc1ccc(-c2nc(CCl)co2)cc1OCc1ccccc1.
What is the InChIKey of 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole?
The InChIKey is UWLHIPBNOXECBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2NO3/c19-9-14-11-24-17(22-14)13-6-7-15(25-18(20)21)16(8-13)23-10-12-4-2-1-3-5-12/h1-8,11,18H,9-10H2.
What are the key properties of 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole?
4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole has a molecular weight of 365.76 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole is sourced from PubChem (CID 68981989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).