methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate

C17H15F3N2O4 — CID 22620956

IUPACmethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C17H15F3N2O4/c1-22(16(24)25-2)13-7-10(17(18,19)20)5-6-11(13)14(23)12-8-21-26-15(12)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyJPLJPEDMULYERK-UHFFFAOYSA-N
MW368.31 g/mol
LogP4.00
Rot. Bonds4

About methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate

methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate (PubChem CID 22620956) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate
PubChem CID22620956
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Namemethyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C17H15F3N2O4/c1-22(16(24)25-2)13-7-10(17(18,19)20)5-6-11(13)14(23)12-8-21-26-15(12)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyJPLJPEDMULYERK-UHFFFAOYSA-N
XLogP4.00
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate (CID 22620956) is methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate is COC(=O)N(C)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate?
The InChIKey is JPLJPEDMULYERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-22(16(24)25-2)13-7-10(17(18,19)20)5-6-11(13)14(23)12-8-21-26-15(12)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate?
methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate has a molecular weight of 368.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]-N-methylcarbamate is sourced from PubChem (CID 22620956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).