N-[[(5S)-2-oxo-3-(5-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

C24H24N4O3 — CID 10409663

IUPACN-[[(5S)-2-oxo-3-(5-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(-c4ccccc4)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C24H24N4O3/c1-15(29)25-13-19-14-28(24(30)31-19)18-10-11-20-17(12-18)8-5-9-21-22(26-27-23(20)21)16-6-3-2-4-7-16/h2-4,6-7,10-12,19H,5,8-9,13-14H2,1H3,(H,25,29)(H,26,27)/t19-/m0/s1
InChIKeyUHGNJHBYTIFSKP-IBGZPJMESA-N
MW416.48 g/mol
LogP3.69
Rot. Bonds4

About N-[[(5S)-2-oxo-3-(5-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-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 10409663) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-(5-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-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 CID10409663
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[[(5S)-2-oxo-3-(5-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(-c4ccccc4)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C24H24N4O3/c1-15(29)25-13-19-14-28(24(30)31-19)18-10-11-20-17(12-18)8-5-9-21-22(26-27-23(20)21)16-6-3-2-4-7-16/h2-4,6-7,10-12,19H,5,8-9,13-14H2,1H3,(H,25,29)(H,26,27)/t19-/m0/s1
InChIKeyUHGNJHBYTIFSKP-IBGZPJMESA-N
XLogP3.69
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(5S)-2-oxo-3-(5-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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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-(5-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-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 10409663) is N-[[(5S)-2-oxo-3-(5-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-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-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(-c4ccccc4)n[nH]c2-3)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-(5-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 UHGNJHBYTIFSKP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15(29)25-13-19-14-28(24(30)31-19)18-10-11-20-17(12-18)8-5-9-21-22(26-27-23(20)21)16-6-3-2-4-7-16/h2-4,6-7,10-12,19H,5,8-9,13-14H2,1H3,(H,25,29)(H,26,27)/t19-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-(5-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-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 416.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-(5-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 10409663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).