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

C12H16F3N3O2 — CID 106371592

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2(C(F)(F)F)CCNC2)oc1C
InChIInChI=1S/C12H16F3N3O2/c1-7-8(2)20-9(18-7)5-17-10(19)11(12(13,14)15)3-4-16-6-11/h16H,3-6H2,1-2H3,(H,17,19)
InChIKeyOLESQJCDOZCXBH-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.45
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106371592) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106371592
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2(C(F)(F)F)CCNC2)oc1C
InChIInChI=1S/C12H16F3N3O2/c1-7-8(2)20-9(18-7)5-17-10(19)11(12(13,14)15)3-4-16-6-11/h16H,3-6H2,1-2H3,(H,17,19)
InChIKeyOLESQJCDOZCXBH-UHFFFAOYSA-N
XLogP1.45
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120950962
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
CID 170133718
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 60972922
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226435
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708199
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827520
5-(Fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84769389
2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
CID 84771378
1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
CID 84771382
5-(Difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84776680
1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
CID 84777753
3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 84777756

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106371592) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1nc(CNC(=O)C2(C(F)(F)F)CCNC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is OLESQJCDOZCXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-7-8(2)20-9(18-7)5-17-10(19)11(12(13,14)15)3-4-16-6-11/h16H,3-6H2,1-2H3,(H,17,19).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106371592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).