(4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide

C13H13F3N2O4 — CID 99792429

IUPAC(4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide
SMILESC[C@H]1OC(=O)N[C@@H]1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O4/c1-7-10(18-12(20)21-7)11(19)17-6-8-4-2-3-5-9(8)22-13(14,15)16/h2-5,7,10H,6H2,1H3,(H,17,19)(H,18,20)/t7-,10+/m1/s1
InChIKeyCYUYHCBXXAKDPF-XCBNKYQSSA-N
MW318.25 g/mol
LogP1.70
Rot. Bonds4

About (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide

(4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 99792429) has the molecular formula C13H13F3N2O4 and a molecular weight of 318.25 g/mol. Its IUPAC name is (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide
PubChem CID99792429
Molecular FormulaC13H13F3N2O4
Molecular Weight318.25 g/mol
Exact Mass318.08
IUPAC Name(4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide
SMILESC[C@H]1OC(=O)N[C@@H]1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O4/c1-7-10(18-12(20)21-7)11(19)17-6-8-4-2-3-5-9(8)22-13(14,15)16/h2-5,7,10H,6H2,1H3,(H,17,19)(H,18,20)/t7-,10+/m1/s1
InChIKeyCYUYHCBXXAKDPF-XCBNKYQSSA-N
XLogP1.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
2-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55035674
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30094410
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119275604
4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 56766019
1-(2-hydroxycyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110933206
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119275603
(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 155507572

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide (CID 99792429) is (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide is C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is CYUYHCBXXAKDPF-XCBNKYQSSA-N. The full InChI is InChI=1S/C13H13F3N2O4/c1-7-10(18-12(20)21-7)11(19)17-6-8-4-2-3-5-9(8)22-13(14,15)16/h2-5,7,10H,6H2,1H3,(H,17,19)(H,18,20)/t7-,10+/m1/s1.
What are the key properties of (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide?
(4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 318.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 99792429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).