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

C12H16F3N3O2 — CID 106370810

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2(C(F)(F)F)CCNC2)o1
InChIInChI=1S/C12H16F3N3O2/c1-2-8-5-17-9(20-8)6-18-10(19)11(12(13,14)15)3-4-16-7-11/h5,16H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyGMQSXPAYHGJZLS-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.40
Rot. Bonds4

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106370810) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106370810
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2(C(F)(F)F)CCNC2)o1
InChIInChI=1S/C12H16F3N3O2/c1-2-8-5-17-9(20-8)6-18-10(19)11(12(13,14)15)3-4-16-7-11/h5,16H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyGMQSXPAYHGJZLS-UHFFFAOYSA-N
XLogP1.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpiperidine-2-carboxamide
CID 106370884
N-(furan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710906
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106371199
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708573
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 106375673
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 106371116
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106390785
N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106896124
1-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 106370912
N-(2-hydroxy-2-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106292003

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106370810) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCc1cnc(CNC(=O)C2(C(F)(F)F)CCNC2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is GMQSXPAYHGJZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-2-8-5-17-9(20-8)6-18-10(19)11(12(13,14)15)3-4-16-7-11/h5,16H,2-4,6-7H2,1H3,(H,18,19).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106370810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).