N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H18F3N3O2 — CID 63709869

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H18F3N3O2/c1-8-10(9(2)21-18-8)6-19(3)11(20)12(13(14,15)16)4-5-17-7-12/h17H,4-7H2,1-3H3
InChIKeyAFIGLTXUMNTUOP-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.79
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709869) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709869
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H18F3N3O2/c1-8-10(9(2)21-18-8)6-19(3)11(20)12(13(14,15)16)4-5-17-7-12/h17H,4-7H2,1-3H3
InChIKeyAFIGLTXUMNTUOP-UHFFFAOYSA-N
XLogP1.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
(3,5-Dimethyl-4-isoxazolyl)(1-pyrrolidinyl)methanone
CID 2798231
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 45887235
3-(1-Acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 51083735
3-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 53515935
N-[2-(dimethylamino)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 53518714
Cyclopropyl-[9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 118738838
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
CID 75462036
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
CID 47861683
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49789726

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709869) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1noc(C)c1CN(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is AFIGLTXUMNTUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8-10(9(2)21-18-8)6-19(3)11(20)12(13(14,15)16)4-5-17-7-12/h17H,4-7H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).