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

C15H20F3N3O3 — CID 120963571

IUPAC(3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(N)=O)C1
InChIInChI=1S/C15H20F3N3O3/c1-7-11(8(2)24-20-7)14(3,4)13(23)21-5-9(12(19)22)10(6-21)15(16,17)18/h9-10H,5-6H2,1-4H3,(H2,19,22)/t9-,10-/m1/s1
InChIKeyOEAZFKOYRCRWCB-NXEZZACHSA-N
MW347.34 g/mol
LogP1.69
Rot. Bonds3

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

(3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120963571) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120963571
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(C)c1C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(N)=O)C1
InChIInChI=1S/C15H20F3N3O3/c1-7-11(8(2)24-20-7)14(3,4)13(23)21-5-9(12(19)22)10(6-21)15(16,17)18/h9-10H,5-6H2,1-4H3,(H2,19,22)/t9-,10-/m1/s1
InChIKeyOEAZFKOYRCRWCB-NXEZZACHSA-N
XLogP1.69
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120949479
(3S,4S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122003063
(3S,4S)-1-[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 154796950
2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide
CID 128985921
(3R,4R)-1-(2-methyl-3-methylsulfanylpropanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 126819014
(3S,4S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122015376
(3S,4S)-1-[1-(2-methylphenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963617
4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane
CID 170592665
(3S,4S)-1-(2,2-dimethylbutanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951156
(3S,4S)-1-(1-cyclohexylazetidine-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 128864559
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-(trifluoromethyl)pyrrolidine-1,3-dicarboxylate
CID 89456899
(3S,4S)-1-(3-fluoro-4-methoxybenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120949503

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120963571) is (3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1noc(C)c1C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(N)=O)C1.
What is the InChIKey of (3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is OEAZFKOYRCRWCB-NXEZZACHSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-7-11(8(2)24-20-7)14(3,4)13(23)21-5-9(12(19)22)10(6-21)15(16,17)18/h9-10H,5-6H2,1-4H3,(H2,19,22)/t9-,10-/m1/s1.
What are the key properties of (3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120963571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).