(2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide

C13H20F3N3O2 — CID 126820543

IUPAC(2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide
SMILESCc1cc(CNC(=O)[C@H](CC(C)C)NCC(F)(F)F)no1
InChIInChI=1S/C13H20F3N3O2/c1-8(2)4-11(18-7-13(14,15)16)12(20)17-6-10-5-9(3)21-19-10/h5,8,11,18H,4,6-7H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyXJVWWHAOLUMTHM-NSHDSACASA-N
MW307.32 g/mol
LogP2.17
Rot. Bonds7

About (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide

(2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide (PubChem CID 126820543) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide
PubChem CID126820543
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name(2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide
SMILESCc1cc(CNC(=O)[C@H](CC(C)C)NCC(F)(F)F)no1
InChIInChI=1S/C13H20F3N3O2/c1-8(2)4-11(18-7-13(14,15)16)12(20)17-6-10-5-9(3)21-19-10/h5,8,11,18H,4,6-7H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyXJVWWHAOLUMTHM-NSHDSACASA-N
XLogP2.17
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide with MolForge

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Related Compounds

2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
4,4,4-trifluoro-2,3-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylbutanamide
CID 126830816
(2R)-2-ethylsulfanyl-3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 95170555
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-propylpropanamide
CID 60695703
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
CID 64669367
(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide
CID 104908294
3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51107017
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51093356

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide?
The IUPAC name of (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide (CID 126820543) is (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide.
What is the SMILES notation for (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide?
The canonical SMILES for (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide is Cc1cc(CNC(=O)[C@H](CC(C)C)NCC(F)(F)F)no1.
What is the InChIKey of (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide?
The InChIKey is XJVWWHAOLUMTHM-NSHDSACASA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-8(2)4-11(18-7-13(14,15)16)12(20)17-6-10-5-9(3)21-19-10/h5,8,11,18H,4,6-7H2,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide?
(2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide has a molecular weight of 307.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)pentanamide is sourced from PubChem (CID 126820543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).