N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide

C13H19F3N2O2 — CID 110476927

IUPACN-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide
SMILESCc1nc(C(C)(C)C)oc1CCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-8-9(20-11(18-8)12(2,3)4)6-5-7-17-10(19)13(14,15)16/h5-7H2,1-4H3,(H,17,19)
InChIKeyVULWEYPZXMWHLQ-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.89
Rot. Bonds4

About N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide

N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide (PubChem CID 110476927) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide
PubChem CID110476927
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC NameN-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide
SMILESCc1nc(C(C)(C)C)oc1CCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-8-9(20-11(18-8)12(2,3)4)6-5-7-17-10(19)13(14,15)16/h5-7H2,1-4H3,(H,17,19)
InChIKeyVULWEYPZXMWHLQ-UHFFFAOYSA-N
XLogP2.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Butan-2-yl-2-[3-(3-fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole
CID 169163003
N-methyl-2-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanamine
CID 84015449
2-[4-Ethyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanamine
CID 84015451
2-[4-ethyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-N-methylethanamine
CID 84016625
3-[4-Ethyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 84016626
2-[4-Propan-2-yl-2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanamine
CID 84016628
N-methyl-2-[4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanamine
CID 84018044
3-[4-Propan-2-yl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 84018045
2-[4-Tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]ethanamine
CID 84018046
2-[4-tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]-N-methylethanamine
CID 84018725
3-[4-Tert-butyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 84018726
4-Methyl-5-pyrrolidin-3-yl-2-(trifluoromethyl)-1,3-oxazole
CID 84685360

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide (CID 110476927) is N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide is Cc1nc(C(C)(C)C)oc1CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide?
The InChIKey is VULWEYPZXMWHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-8-9(20-11(18-8)12(2,3)4)6-5-7-17-10(19)13(14,15)16/h5-7H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide?
N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide has a molecular weight of 292.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 110476927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).