N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide

C17H22N2O3 — CID 10086276

IUPACN-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCCC3)C(=O)O1
InChIInChI=1S/C17H22N2O3/c1-12(20)18-10-16-11-19(17(21)22-16)15-8-7-13-5-3-2-4-6-14(13)9-15/h7-9,16H,2-6,10-11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyNHYPRKJYWPQIEZ-INIZCTEOSA-N
MW302.37 g/mol
LogP2.42
Rot. Bonds3

About N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10086276) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10086276
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCCC3)C(=O)O1
InChIInChI=1S/C17H22N2O3/c1-12(20)18-10-16-11-19(17(21)22-16)15-8-7-13-5-3-2-4-6-14(13)9-15/h7-9,16H,2-6,10-11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyNHYPRKJYWPQIEZ-INIZCTEOSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10086276) is N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCCC3)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is NHYPRKJYWPQIEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(20)18-10-16-11-19(17(21)22-16)15-8-7-13-5-3-2-4-6-14(13)9-15/h7-9,16H,2-6,10-11H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10086276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).