methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide

C18H16F3N2O2- — CID 150054425

IUPACmethyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide
SMILESC[N-]C(c1cccc(C(F)(F)F)c1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H16F3N2O2/c1-22-16(13-8-5-9-14(10-13)18(19,20)21)23-15(11-25-17(23)24)12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3/q-1/t15-,16?/m1/s1
InChIKeyDLZGVHVWHPOJIQ-AAFJCEBUSA-N
MW349.33 g/mol
LogP4.90
Rot. Bonds4

About methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide

methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide (PubChem CID 150054425) has the molecular formula C18H16F3N2O2- and a molecular weight of 349.33 g/mol. Its IUPAC name is methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide.

Molecular Properties

Compound Namemethyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide
PubChem CID150054425
Molecular FormulaC18H16F3N2O2-
Molecular Weight349.33 g/mol
Exact Mass349.12
IUPAC Namemethyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide
SMILESC[N-]C(c1cccc(C(F)(F)F)c1)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H16F3N2O2/c1-22-16(13-8-5-9-14(10-13)18(19,20)21)23-15(11-25-17(23)24)12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3/q-1/t15-,16?/m1/s1
InChIKeyDLZGVHVWHPOJIQ-AAFJCEBUSA-N
XLogP4.90
TPSA43.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
(4R)-4-phenyl-3-[(1S)-1-trimethylsilyloxyethyl]-1,3-oxazolidin-2-one
CID 134936571
ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 143702740
(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one
CID 71698017
(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134975680
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4R)-3-[(2S)-1-nitropropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 100948483
(2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 138474911
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901
(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one
CID 11425945
4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 162535976
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928

Frequently Asked Questions

What is the IUPAC name of methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide?
The IUPAC name of methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide (CID 150054425) is methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide.
What is the SMILES notation for methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide?
The canonical SMILES for methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide is C[N-]C(c1cccc(C(F)(F)F)c1)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide?
The InChIKey is DLZGVHVWHPOJIQ-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H16F3N2O2/c1-22-16(13-8-5-9-14(10-13)18(19,20)21)23-15(11-25-17(23)24)12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3/q-1/t15-,16?/m1/s1.
What are the key properties of methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide?
methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide has a molecular weight of 349.33 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide is sourced from PubChem (CID 150054425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).