N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

C14H13F5N2O3 — CID 14011342

IUPACN-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(F)(F)C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C14H13F5N2O3/c1-8(22)20-6-11-7-21(12(23)24-11)10-4-2-9(3-5-10)13(15,16)14(17,18)19/h2-5,11H,6-7H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyQHVRTQXPALTLAV-NSHDSACASA-N
MW352.26 g/mol
LogP2.80
Rot. Bonds4

About N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011342) has the molecular formula C14H13F5N2O3 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011342
Molecular FormulaC14H13F5N2O3
Molecular Weight352.26 g/mol
Exact Mass352.08
IUPAC NameN-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(F)(F)C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C14H13F5N2O3/c1-8(22)20-6-11-7-21(12(23)24-11)10-4-2-9(3-5-10)13(15,16)14(17,18)19/h2-5,11H,6-7H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyQHVRTQXPALTLAV-NSHDSACASA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
N-[[(5S)-3-[4-[4-[(diaminomethylideneamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 52943501
2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide
CID 11361985
2-[(Isopropoxycarbonyl)amino]ethyl 4-methylphenylcarbamate
CID 2829175
(s)-n-[3-(8,9-Dihydro-7h-benzocyclohepten-2-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 9972011
(S)-N-[2-Oxo-3-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-oxazolidin-5-ylmethyl]-acetamide
CID 10086276
N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10203140
(S)-N-[3-(4-Fluoro-8,9-dihydro-7H-benzocyclohepten-2-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 44418415
4,4,4-trifluorobutan-2-yl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67239457
US10662159, Example 47
CID 138619090
5-((((Methylamino)carbonyl)oxy)methyl)-3-(3-(trifluoromethyl)phenyl)-2-oxazolidinone
CID 198478

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011342) is N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C(F)(F)C(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is QHVRTQXPALTLAV-NSHDSACASA-N. The full InChI is InChI=1S/C14H13F5N2O3/c1-8(22)20-6-11-7-21(12(23)24-11)10-4-2-9(3-5-10)13(15,16)14(17,18)19/h2-5,11H,6-7H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 352.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).