(3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H14F3N3O4 — CID 164635773

IUPAC(3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(OC)no2)C1
InChIInChI=1S/C12H14F3N3O4/c1-16-10(20)11(12(13,14)15)3-4-18(6-11)9(19)7-5-8(21-2)17-22-7/h5H,3-4,6H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyQLECPNMTZUMSNU-LLVKDONJSA-N
MW321.26 g/mol
LogP0.82
Rot. Bonds3

About (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

(3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 164635773) has the molecular formula C12H14F3N3O4 and a molecular weight of 321.26 g/mol. Its IUPAC name is (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID164635773
Molecular FormulaC12H14F3N3O4
Molecular Weight321.26 g/mol
Exact Mass321.09
IUPAC Name(3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(OC)no2)C1
InChIInChI=1S/C12H14F3N3O4/c1-16-10(20)11(12(13,14)15)3-4-18(6-11)9(19)7-5-8(21-2)17-22-7/h5H,3-4,6H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyQLECPNMTZUMSNU-LLVKDONJSA-N
XLogP0.82
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 164635773) is (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(OC)no2)C1.
What is the InChIKey of (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QLECPNMTZUMSNU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14F3N3O4/c1-16-10(20)11(12(13,14)15)3-4-18(6-11)9(19)7-5-8(21-2)17-22-7/h5H,3-4,6H2,1-2H3,(H,16,20)/t11-/m1/s1.
What are the key properties of (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 321.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 164635773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).