N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H17FN6O3 — CID 10200023

IUPACN-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccnc(CN=[N+]=[N-])c3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN6O3/c1-11(26)22-9-15-10-25(18(27)28-15)14-2-3-16(17(19)7-14)12-4-5-21-13(6-12)8-23-24-20/h2-7,15H,8-10H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyYMICMGDVEYEEDN-HNNXBMFYSA-N
MW384.37 g/mol
LogP3.16
Rot. Bonds6

About N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10200023) has the molecular formula C18H17FN6O3 and a molecular weight of 384.37 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10200023
Molecular FormulaC18H17FN6O3
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC NameN-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccnc(CN=[N+]=[N-])c3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN6O3/c1-11(26)22-9-15-10-25(18(27)28-15)14-2-3-16(17(19)7-14)12-4-5-21-13(6-12)8-23-24-20/h2-7,15H,8-10H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyYMICMGDVEYEEDN-HNNXBMFYSA-N
XLogP3.16
TPSA120.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10200023) is N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccnc(CN=[N+]=[N-])c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YMICMGDVEYEEDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17FN6O3/c1-11(26)22-9-15-10-25(18(27)28-15)14-2-3-16(17(19)7-14)12-4-5-21-13(6-12)8-23-24-20/h2-7,15H,8-10H2,1H3,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 384.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[2-(azidomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10200023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).