N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide

C18H17F3N4O4 — CID 11742278

IUPACN-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)OCCc2[nH]c(C(F)(F)F)nc2-3)C(=O)O1
InChIInChI=1S/C18H17F3N4O4/c1-9(26)22-7-11-8-25(17(27)29-11)10-2-3-12-14(6-10)28-5-4-13-15(12)24-16(23-13)18(19,20)21/h2-3,6,11H,4-5,7-8H2,1H3,(H,22,26)(H,23,24)/t11-/m0/s1
InChIKeyLSAYPTXGYCRFRD-NSHDSACASA-N
MW410.35 g/mol
LogP2.49
Rot. Bonds3

About N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11742278) has the molecular formula C18H17F3N4O4 and a molecular weight of 410.35 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11742278
Molecular FormulaC18H17F3N4O4
Molecular Weight410.35 g/mol
Exact Mass410.12
IUPAC NameN-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)OCCc2[nH]c(C(F)(F)F)nc2-3)C(=O)O1
InChIInChI=1S/C18H17F3N4O4/c1-9(26)22-7-11-8-25(17(27)29-11)10-2-3-12-14(6-10)28-5-4-13-15(12)24-16(23-13)18(19,20)21/h2-3,6,11H,4-5,7-8H2,1H3,(H,22,26)(H,23,24)/t11-/m0/s1
InChIKeyLSAYPTXGYCRFRD-NSHDSACASA-N
XLogP2.49
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

tert-butyl 4-[8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-3-yl]piperazine-1-carboxylate
CID 10075565
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10481092
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
N-[[(5S)-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10448522
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-2-oxo-3-[5-[4-(trifluoromethoxy)furan-3-yl]-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10458281

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11742278) is N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)OCCc2[nH]c(C(F)(F)F)nc2-3)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LSAYPTXGYCRFRD-NSHDSACASA-N. The full InChI is InChI=1S/C18H17F3N4O4/c1-9(26)22-7-11-8-25(17(27)29-11)10-2-3-12-14(6-10)28-5-4-13-15(12)24-16(23-13)18(19,20)21/h2-3,6,11H,4-5,7-8H2,1H3,(H,22,26)(H,23,24)/t11-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 410.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-[2-(trifluoromethyl)-4,5-dihydro-3H-[1]benzoxepino[4,5-d]imidazol-8-yl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11742278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).