methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate

C20H16F3N3O6 — CID 23544594

IUPACmethyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate
SMILESCOC(=O)Nc1noc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1OC
InChIInChI=1S/C20H16F3N3O6/c1-29-15-16(32-26-17(15)25-19(28)30-2)18(27)24-12-5-9-14(10-6-12)31-13-7-3-11(4-8-13)20(21,22)23/h3-10H,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyKEHVUBYTRPUGFW-UHFFFAOYSA-N
MW451.36 g/mol
LogP4.92
Rot. Bonds6

About methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate

methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate (PubChem CID 23544594) has the molecular formula C20H16F3N3O6 and a molecular weight of 451.36 g/mol. Its IUPAC name is methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate
PubChem CID23544594
Molecular FormulaC20H16F3N3O6
Molecular Weight451.36 g/mol
Exact Mass451.10
IUPAC Namemethyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate
SMILESCOC(=O)Nc1noc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1OC
InChIInChI=1S/C20H16F3N3O6/c1-29-15-16(32-26-17(15)25-19(28)30-2)18(27)24-12-5-9-14(10-6-12)31-13-7-3-11(4-8-13)20(21,22)23/h3-10H,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyKEHVUBYTRPUGFW-UHFFFAOYSA-N
XLogP4.92
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate with MolForge

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Related Compounds

[4-methyl-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-3-pyridinyl] acetate
CID 20636750
methyl 3-oxo-3-[4-[4-(trifluoromethyl)phenoxy]anilino]propanoate
CID 169084967
prop-2-enyl N-[4-methoxy-1-methyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrol-3-yl]carbamate
CID 11720103
6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide
CID 172905513
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109221654
3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103680
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 110683987
methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
CID 21239301

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate?
The IUPAC name of methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate (CID 23544594) is methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate.
What is the SMILES notation for methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate?
The canonical SMILES for methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate is COC(=O)Nc1noc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1OC.
What is the InChIKey of methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate?
The InChIKey is KEHVUBYTRPUGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O6/c1-29-15-16(32-26-17(15)25-19(28)30-2)18(27)24-12-5-9-14(10-6-12)31-13-7-3-11(4-8-13)20(21,22)23/h3-10H,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate?
methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate has a molecular weight of 451.36 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-methoxy-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-1,2-oxazol-3-yl]carbamate is sourced from PubChem (CID 23544594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).