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

C12H16F3N3O2 — CID 120950962

IUPAC(3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CN2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)oc1C
InChIInChI=1S/C12H16F3N3O2/c1-6-7(2)20-10(17-6)5-18-3-8(11(16)19)9(4-18)12(13,14)15/h8-9H,3-5H2,1-2H3,(H2,16,19)/t8-,9-/m1/s1
InChIKeyAABIGZKMCHNPNA-RKDXNWHRSA-N
MW291.27 g/mol
LogP1.39
Rot. Bonds3

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

(3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120950962) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120950962
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name(3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CN2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)oc1C
InChIInChI=1S/C12H16F3N3O2/c1-6-7(2)20-10(17-6)5-18-3-8(11(16)19)9(4-18)12(13,14)15/h8-9H,3-5H2,1-2H3,(H2,16,19)/t8-,9-/m1/s1
InChIKeyAABIGZKMCHNPNA-RKDXNWHRSA-N
XLogP1.39
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988839
2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 164639100
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708199
5-(Fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84769389
5-(Difluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84776680
(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96075096
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96075097
5-Methyl-2-pyrrolidin-3-yl-4-(trifluoromethyl)-1,3-oxazole
CID 105475180
4-Methyl-2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3-oxazole
CID 105475188
2-(2,2-difluoroethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 105910452
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106371592
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106372666

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120950962) is (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1nc(CN2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)oc1C.
What is the InChIKey of (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is AABIGZKMCHNPNA-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-6-7(2)20-10(17-6)5-18-3-8(11(16)19)9(4-18)12(13,14)15/h8-9H,3-5H2,1-2H3,(H2,16,19)/t8-,9-/m1/s1.
What are the key properties of (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120950962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).