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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Related Compounds

Difamilast
CID 57855696
3-[4-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol
CID 25192184
(2-Phenyl-4-oxazolyl)(3,4,5-trimethoxyphenyl)methanone
CID 53363700
2-(3,4-Dimethoxyphenyl)-5-fluoro-1,3-benzoxazole
CID 25034557
2-(3,4-Dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
n-[2-(4-Difluoromethoxy-3-isobutoxyphenyl)oxazol-4-ylmethyl]-2-ethoxybenzamide
CID 25142154
N-[2-(4-difluoromethoxy-3-ethoxyphenyl)oxazol-4-ylmethyl]-2-ethoxybenzamide
CID 25142155
[2-[3,4-Bis(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine
CID 57855704
N-[2-(4-difluoromethoxy-3-propoxy phenyl)oxazol-4-ylmethyl]-2-ethoxybenzamide
CID 57855706
N-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
CID 57855718
3-[2-(3,4-Diethoxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxy-4-fluorophenyl)propan-1-one
CID 57855722
N-[2-(3-but-3-enyloxy-4-difluoromethoxy phenyl)oxazol-4-ylmethyl]-2-ethoxybenzamide
CID 57855724

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).