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

C26H26FN5O4 — CID 23403815

IUPAC2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(C(N)=O)c4cccnc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H26FN5O4/c1-16(33)30-14-21-15-32(26(35)36-21)20-8-9-22(23(27)11-20)18-6-4-17(5-7-18)12-31-24(25(28)34)19-3-2-10-29-13-19/h2-11,13,21,24,31H,12,14-15H2,1H3,(H2,28,34)(H,30,33)/t21-,24?/m0/s1
InChIKeyPECAQTYTGITBOX-XEGCMXMBSA-N
MW491.52 g/mol
LogP2.67
Rot. Bonds9

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

2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide (PubChem CID 23403815) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide
PubChem CID23403815
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC Name2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(C(N)=O)c4cccnc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H26FN5O4/c1-16(33)30-14-21-15-32(26(35)36-21)20-8-9-22(23(27)11-20)18-6-4-17(5-7-18)12-31-24(25(28)34)19-3-2-10-29-13-19/h2-11,13,21,24,31H,12,14-15H2,1H3,(H2,28,34)(H,30,33)/t21-,24?/m0/s1
InChIKeyPECAQTYTGITBOX-XEGCMXMBSA-N
XLogP2.67
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide (CID 23403815) is 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(C(N)=O)c4cccnc4)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]-2-pyridin-3-ylacetamide?
The InChIKey is PECAQTYTGITBOX-XEGCMXMBSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-16(33)30-14-21-15-32(26(35)36-21)20-8-9-22(23(27)11-20)18-6-4-17(5-7-18)12-31-24(25(28)34)19-3-2-10-29-13-19/h2-11,13,21,24,31H,12,14-15H2,1H3,(H2,28,34)(H,30,33)/t21-,24?/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]-2-pyridin-3-ylacetamide?
2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]-2-pyridin-3-ylacetamide has a molecular weight of 491.52 g/mol, XLogP of 2.67, 9 rotatable bonds, 3 hydrogen bond donors, and 6 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]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 23403815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).