N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide

C10H10F6N2O2 — CID 3352198

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6N2O2/c1-3-8(9(11,12)13,10(14,15)16)7(19)17-6-4-5(2)20-18-6/h4H,3H2,1-2H3,(H,17,18,19)
InChIKeyBVNAJBHTUFQMDY-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.44
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide

N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide (PubChem CID 3352198) has the molecular formula C10H10F6N2O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
PubChem CID3352198
Molecular FormulaC10H10F6N2O2
Molecular Weight304.19 g/mol
Exact Mass304.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6N2O2/c1-3-8(9(11,12)13,10(14,15)16)7(19)17-6-4-5(2)20-18-6/h4H,3H2,1-2H3,(H,17,18,19)
InChIKeyBVNAJBHTUFQMDY-UHFFFAOYSA-N
XLogP3.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide (CID 3352198) is N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide is CCC(C(=O)Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is BVNAJBHTUFQMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2O2/c1-3-8(9(11,12)13,10(14,15)16)7(19)17-6-4-5(2)20-18-6/h4H,3H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 304.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 3352198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).