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

C23H23N5O3 — CID 10477067

IUPACN-[[(5S)-2-oxo-3-(5-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
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccncc4)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C23H23N5O3/c1-14(29)25-12-18-13-28(23(30)31-18)17-5-6-19-16(11-17)3-2-4-20-21(26-27-22(19)20)15-7-9-24-10-8-15/h5-11,18H,2-4,12-13H2,1H3,(H,25,29)(H,26,27)/t18-/m0/s1
InChIKeySPJTVSDHCMRQSE-SFHVURJKSA-N
MW417.47 g/mol
LogP3.09
Rot. Bonds4

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

N-[[(5S)-2-oxo-3-(5-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 (PubChem CID 10477067) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-(5-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.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-(5-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
PubChem CID10477067
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[[(5S)-2-oxo-3-(5-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
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccncc4)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C23H23N5O3/c1-14(29)25-12-18-13-28(23(30)31-18)17-5-6-19-16(11-17)3-2-4-20-21(26-27-22(19)20)15-7-9-24-10-8-15/h5-11,18H,2-4,12-13H2,1H3,(H,25,29)(H,26,27)/t18-/m0/s1
InChIKeySPJTVSDHCMRQSE-SFHVURJKSA-N
XLogP3.09
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-(5-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?
The IUPAC name of N-[[(5S)-2-oxo-3-(5-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 10477067) is N-[[(5S)-2-oxo-3-(5-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.
What is the SMILES notation for N-[[(5S)-2-oxo-3-(5-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?
The canonical SMILES for N-[[(5S)-2-oxo-3-(5-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 is CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccncc4)n[nH]c2-3)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-(5-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?
The InChIKey is SPJTVSDHCMRQSE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14(29)25-12-18-13-28(23(30)31-18)17-5-6-19-16(11-17)3-2-4-20-21(26-27-22(19)20)15-7-9-24-10-8-15/h5-11,18H,2-4,12-13H2,1H3,(H,25,29)(H,26,27)/t18-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-(5-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?
N-[[(5S)-2-oxo-3-(5-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 has a molecular weight of 417.47 g/mol, XLogP of 3.09, 4 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-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 is sourced from PubChem (CID 10477067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).