N-[[(5S)-3-[5-(4-fluorophenyl)-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

C24H23FN4O3 — CID 10433051

IUPACN-[[(5S)-3-[5-(4-fluorophenyl)-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(-c4ccc(F)cc4)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C24H23FN4O3/c1-14(30)26-12-19-13-29(24(31)32-19)18-9-10-20-16(11-18)3-2-4-21-22(27-28-23(20)21)15-5-7-17(25)8-6-15/h5-11,19H,2-4,12-13H2,1H3,(H,26,30)(H,27,28)/t19-/m0/s1
InChIKeyLSUKEPRJYBPAES-IBGZPJMESA-N
MW434.47 g/mol
LogP3.83
Rot. Bonds4

About N-[[(5S)-3-[5-(4-fluorophenyl)-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-fluorophenyl)-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 10433051) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[[(5S)-3-[5-(4-fluorophenyl)-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-fluorophenyl)-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 CID10433051
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-[[(5S)-3-[5-(4-fluorophenyl)-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(-c4ccc(F)cc4)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C24H23FN4O3/c1-14(30)26-12-19-13-29(24(31)32-19)18-9-10-20-16(11-18)3-2-4-21-22(27-28-23(20)21)15-5-7-17(25)8-6-15/h5-11,19H,2-4,12-13H2,1H3,(H,26,30)(H,27,28)/t19-/m0/s1
InChIKeyLSUKEPRJYBPAES-IBGZPJMESA-N
XLogP3.83
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(5S)-3-[5-(4-fluorophenyl)-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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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[5-(4-fluorophenyl)-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-fluorophenyl)-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 10433051) is N-[[(5S)-3-[5-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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(-c4ccc(F)cc4)n[nH]c2-3)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[5-(4-fluorophenyl)-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 LSUKEPRJYBPAES-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-14(30)26-12-19-13-29(24(31)32-19)18-9-10-20-16(11-18)3-2-4-21-22(27-28-23(20)21)15-5-7-17(25)8-6-15/h5-11,19H,2-4,12-13H2,1H3,(H,26,30)(H,27,28)/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-[5-(4-fluorophenyl)-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-fluorophenyl)-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 434.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[5-(4-fluorophenyl)-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 10433051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).