2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide

C21H23FN4O4 — CID 11361985

IUPAC2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCC(N)=O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23FN4O4/c1-13(27)25-10-17-12-26(21(29)30-17)16-6-7-18(19(22)8-16)15-4-2-14(3-5-15)9-24-11-20(23)28/h2-8,17,24H,9-12H2,1H3,(H2,23,28)(H,25,27)/t17-/m0/s1
InChIKeyPLDWJXYJCHZYEV-KRWDZBQOSA-N
MW414.44 g/mol
LogP1.53
Rot. Bonds8

About 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide

2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide (PubChem CID 11361985) has the molecular formula C21H23FN4O4 and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide
PubChem CID11361985
Molecular FormulaC21H23FN4O4
Molecular Weight414.44 g/mol
Exact Mass414.17
IUPAC Name2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCC(N)=O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H23FN4O4/c1-13(27)25-10-17-12-26(21(29)30-17)16-6-7-18(19(22)8-16)15-4-2-14(3-5-15)9-24-11-20(23)28/h2-8,17,24H,9-12H2,1H3,(H2,23,28)(H,25,27)/t17-/m0/s1
InChIKeyPLDWJXYJCHZYEV-KRWDZBQOSA-N
XLogP1.53
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide?
The IUPAC name of 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide (CID 11361985) is 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide.
What is the SMILES notation for 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide?
The canonical SMILES for 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCC(N)=O)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide?
The InChIKey is PLDWJXYJCHZYEV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23FN4O4/c1-13(27)25-10-17-12-26(21(29)30-17)16-6-7-18(19(22)8-16)15-4-2-14(3-5-15)9-24-11-20(23)28/h2-8,17,24H,9-12H2,1H3,(H2,23,28)(H,25,27)/t17-/m0/s1.
What are the key properties of 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide?
2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide has a molecular weight of 414.44 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide is sourced from PubChem (CID 11361985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).