[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate

C18H13F3N2O4 — CID 46892621

IUPAC[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cc(-c2ccc(OCc3c(F)cc(F)cc3F)cc2)no1
InChIInChI=1S/C18H13F3N2O4/c19-11-5-15(20)14(16(21)6-11)9-25-12-3-1-10(2-4-12)17-7-13(27-23-17)8-26-18(22)24/h1-7H,8-9H2,(H2,22,24)
InChIKeyUUWWHTHXMPHQEC-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.93
Rot. Bonds6

About [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate

[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate (PubChem CID 46892621) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
PubChem CID46892621
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC Name[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cc(-c2ccc(OCc3c(F)cc(F)cc3F)cc2)no1
InChIInChI=1S/C18H13F3N2O4/c19-11-5-15(20)14(16(21)6-11)9-25-12-3-1-10(2-4-12)17-7-13(27-23-17)8-26-18(22)24/h1-7H,8-9H2,(H2,22,24)
InChIKeyUUWWHTHXMPHQEC-UHFFFAOYSA-N
XLogP3.93
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892622
[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892869
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
CID 46893513
2-(4-fluorophenoxy)-1-[4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 112826219
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
[3-[4-[(5-chlorothiophen-2-yl)methyl]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 90384001
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661
2-(4-fluorophenoxy)-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 78877405
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The IUPAC name of [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate (CID 46892621) is [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate.
What is the SMILES notation for [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The canonical SMILES for [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate is NC(=O)OCc1cc(-c2ccc(OCc3c(F)cc(F)cc3F)cc2)no1.
What is the InChIKey of [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The InChIKey is UUWWHTHXMPHQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c19-11-5-15(20)14(16(21)6-11)9-25-12-3-1-10(2-4-12)17-7-13(27-23-17)8-26-18(22)24/h1-7H,8-9H2,(H2,22,24).
What are the key properties of [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate has a molecular weight of 378.31 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate is sourced from PubChem (CID 46892621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).