(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone

C10H11F3N2O2 — CID 126799407

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC(C(F)(F)F)C2)o1
InChIInChI=1S/C10H11F3N2O2/c1-5-8(17-6(2)14-5)9(16)15-3-7(4-15)10(11,12)13/h7H,3-4H2,1-2H3
InChIKeyLYYRLSAILOMPBN-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.93
Rot. Bonds1

About (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone (PubChem CID 126799407) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
PubChem CID126799407
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC(C(F)(F)F)C2)o1
InChIInChI=1S/C10H11F3N2O2/c1-5-8(17-6(2)14-5)9(16)15-3-7(4-15)10(11,12)13/h7H,3-4H2,1-2H3
InChIKeyLYYRLSAILOMPBN-UHFFFAOYSA-N
XLogP1.93
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 75438797
(2-Cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone
CID 127859230
(4-Cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 128767551
(5-Methyl-2-propan-2-yl-1,3-oxazol-4-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 137991861
4-(Difluoromethyl)-2-[(dimethylamino)methyl]-1,3-oxazole-5-carbaldehyde
CID 176371208
2-[3-(3-Fluoroazetidin-1-yl)propyl]-4-methyl-1,3-oxazole-5-carbaldehyde
CID 176371221
2-[2-(Dimethylamino)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
CID 176371232
2-[2-(3-Fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
CID 176371513
2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide
CID 81340809

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone (CID 126799407) is (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CC(C(F)(F)F)C2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone?
The InChIKey is LYYRLSAILOMPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5-8(17-6(2)14-5)9(16)15-3-7(4-15)10(11,12)13/h7H,3-4H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone has a molecular weight of 248.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 126799407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).