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

C25H23F3N4O4 — CID 10481092

IUPACN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccccc4OC(F)(F)F)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C25H23F3N4O4/c1-14(33)29-12-17-13-32(24(34)35-17)16-9-10-18-15(11-16)5-4-7-20-22(18)30-31-23(20)19-6-2-3-8-21(19)36-25(26,27)28/h2-3,6,8-11,17H,4-5,7,12-13H2,1H3,(H,29,33)(H,30,31)/t17-/m0/s1
InChIKeyBQSOHJSSEVGXAW-KRWDZBQOSA-N
MW500.48 g/mol
LogP4.59
Rot. Bonds5

About 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

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 (PubChem CID 10481092) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID10481092
Molecular FormulaC25H23F3N4O4
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC NameN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccccc4OC(F)(F)F)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C25H23F3N4O4/c1-14(33)29-12-17-13-32(24(34)35-17)16-9-10-18-15(11-16)5-4-7-20-22(18)30-31-23(20)19-6-2-3-8-21(19)36-25(26,27)28/h2-3,6,8-11,17H,4-5,7,12-13H2,1H3,(H,29,33)(H,30,31)/t17-/m0/s1
InChIKeyBQSOHJSSEVGXAW-KRWDZBQOSA-N
XLogP4.59
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
N-[[(5S)-3-[5-(4-fluorofuran-3-yl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10025361
N-[[(5S)-3-[5-(4-hydroxyfuran-3-yl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10002335
N-[[(5S)-2-oxo-3-(5-thiophen-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 10477334
N-[[(5S)-2-oxo-3-[5-(2-oxo-1H-pyridin-4-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 10002973
N-[[(5S)-3-[5-(3-methoxy-4-pyridinyl)-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10026667
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
N-[[(5S)-3-[5-(2-fluoro-4-pyridinyl)-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10365728
N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10406909
acetaldehyde;tert-butyl 4-[12-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-5-yl]piperazine-1-carboxylate
CID 142929433
N-[[(5S)-2-oxo-3-[(6Z)-5-oxo-6-(pyridin-4-ylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10319093
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccccc4OC(F)(F)F)n[nH]c2-3)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is BQSOHJSSEVGXAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23F3N4O4/c1-14(33)29-12-17-13-32(24(34)35-17)16-9-10-18-15(11-16)5-4-7-20-22(18)30-31-23(20)19-6-2-3-8-21(19)36-25(26,27)28/h2-3,6,8-11,17H,4-5,7,12-13H2,1H3,(H,29,33)(H,30,31)/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 500.48 g/mol, XLogP of 4.59, 5 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-[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 is sourced from PubChem (CID 10481092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).