N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H23F2N3O5 — CID 59234856

IUPACN-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(N3CC4(CC4)C4(C3)OCCO4)c(F)c2)C(=O)O1
InChIInChI=1S/C20H23F2N3O5/c1-12(26)23-8-14-9-25(18(27)30-14)13-6-15(21)17(16(22)7-13)24-10-19(2-3-19)20(11-24)28-4-5-29-20/h6-7,14H,2-5,8-11H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyDYVQQQHPNZQIGH-AWEZNQCLSA-N
MW423.42 g/mol
LogP1.77
Rot. Bonds4

About N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 59234856) has the molecular formula C20H23F2N3O5 and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID59234856
Molecular FormulaC20H23F2N3O5
Molecular Weight423.42 g/mol
Exact Mass423.16
IUPAC NameN-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(N3CC4(CC4)C4(C3)OCCO4)c(F)c2)C(=O)O1
InChIInChI=1S/C20H23F2N3O5/c1-12(26)23-8-14-9-25(18(27)30-14)13-6-15(21)17(16(22)7-13)24-10-19(2-3-19)20(11-24)28-4-5-29-20/h6-7,14H,2-5,8-11H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyDYVQQQHPNZQIGH-AWEZNQCLSA-N
XLogP1.77
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 59234856) is N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(N3CC4(CC4)C4(C3)OCCO4)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DYVQQQHPNZQIGH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23F2N3O5/c1-12(26)23-8-14-9-25(18(27)30-14)13-6-15(21)17(16(22)7-13)24-10-19(2-3-19)20(11-24)28-4-5-29-20/h6-7,14H,2-5,8-11H2,1H3,(H,23,26)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 423.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 59234856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).