N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H19F3N2O2 — CID 16745472

IUPACN-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)CCNC(=O)C1CC(c2ccccc2C(F)(F)F)=NO1
InChIInChI=1S/C16H19F3N2O2/c1-10(2)7-8-20-15(22)14-9-13(21-23-14)11-5-3-4-6-12(11)16(17,18)19/h3-6,10,14H,7-9H2,1-2H3,(H,20,22)
InChIKeyFIGSLAVWQWWFOF-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.36
Rot. Bonds5

About N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16745472) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16745472
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)CCNC(=O)C1CC(c2ccccc2C(F)(F)F)=NO1
InChIInChI=1S/C16H19F3N2O2/c1-10(2)7-8-20-15(22)14-9-13(21-23-14)11-5-3-4-6-12(11)16(17,18)19/h3-6,10,14H,7-9H2,1-2H3,(H,20,22)
InChIKeyFIGSLAVWQWWFOF-UHFFFAOYSA-N
XLogP3.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16745472) is N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)CCNC(=O)C1CC(c2ccccc2C(F)(F)F)=NO1.
What is the InChIKey of N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FIGSLAVWQWWFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-10(2)7-8-20-15(22)14-9-13(21-23-14)11-5-3-4-6-12(11)16(17,18)19/h3-6,10,14H,7-9H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16745472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).