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

C22H21FN4O4 — CID 10025361

IUPACN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cocc4F)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C22H21FN4O4/c1-12(28)24-8-15-9-27(22(29)31-15)14-5-6-16-13(7-14)3-2-4-17-20(16)25-26-21(17)18-10-30-11-19(18)23/h5-7,10-11,15H,2-4,8-9H2,1H3,(H,24,28)(H,25,26)/t15-/m0/s1
InChIKeyZJAQXQVPCJTLMD-HNNXBMFYSA-N
MW424.43 g/mol
LogP3.43
Rot. Bonds4

About 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

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 (PubChem CID 10025361) has the molecular formula C22H21FN4O4 and a molecular weight of 424.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID10025361
Molecular FormulaC22H21FN4O4
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC NameN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cocc4F)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C22H21FN4O4/c1-12(28)24-8-15-9-27(22(29)31-15)14-5-6-16-13(7-14)3-2-4-17-20(16)25-26-21(17)18-10-30-11-19(18)23/h5-7,10-11,15H,2-4,8-9H2,1H3,(H,24,28)(H,25,26)/t15-/m0/s1
InChIKeyZJAQXQVPCJTLMD-HNNXBMFYSA-N
XLogP3.43
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[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)-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)-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-[[(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
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
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
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cocc4F)n[nH]c2-3)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is ZJAQXQVPCJTLMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21FN4O4/c1-12(28)24-8-15-9-27(22(29)31-15)14-5-6-16-13(7-14)3-2-4-17-20(16)25-26-21(17)18-10-30-11-19(18)23/h5-7,10-11,15H,2-4,8-9H2,1H3,(H,24,28)(H,25,26)/t15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 424.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10025361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).