tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate

C16H17F3N2O3 — CID 175985489

IUPACtert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate
SMILESCc1ccc(C(F)(F)F)cc1N(C(=O)OC(C)(C)C)c1ncco1
InChIInChI=1S/C16H17F3N2O3/c1-10-5-6-11(16(17,18)19)9-12(10)21(13-20-7-8-23-13)14(22)24-15(2,3)4/h5-9H,1-4H3
InChIKeyJFNJNIAHXUAUQN-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.08
Rot. Bonds2

About tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate

tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate (PubChem CID 175985489) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate
PubChem CID175985489
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Nametert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate
SMILESCc1ccc(C(F)(F)F)cc1N(C(=O)OC(C)(C)C)c1ncco1
InChIInChI=1S/C16H17F3N2O3/c1-10-5-6-11(16(17,18)19)9-12(10)21(13-20-7-8-23-13)14(22)24-15(2,3)4/h5-9H,1-4H3
InChIKeyJFNJNIAHXUAUQN-UHFFFAOYSA-N
XLogP5.08
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate (CID 175985489) is tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate is Cc1ccc(C(F)(F)F)cc1N(C(=O)OC(C)(C)C)c1ncco1.
What is the InChIKey of tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate?
The InChIKey is JFNJNIAHXUAUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-10-5-6-11(16(17,18)19)9-12(10)21(13-20-7-8-23-13)14(22)24-15(2,3)4/h5-9H,1-4H3.
What are the key properties of tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate?
tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate has a molecular weight of 342.32 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-5-(trifluoromethyl)phenyl]-N-(1,3-oxazol-2-yl)carbamate is sourced from PubChem (CID 175985489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).