N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H16FN7O3 — CID 11632661

IUPACN-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3cnc(-n4cncn4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H16FN7O3/c1-11(27)21-7-14-8-25(18(28)29-14)13-2-3-15(16(19)4-13)12-5-22-17(23-6-12)26-10-20-9-24-26/h2-6,9-10,14H,7-8H2,1H3,(H,21,27)/t14-/m0/s1
InChIKeyUONUBOCPQDIAGF-AWEZNQCLSA-N
MW397.37 g/mol
LogP1.32
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11632661) has the molecular formula C18H16FN7O3 and a molecular weight of 397.37 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11632661
Molecular FormulaC18H16FN7O3
Molecular Weight397.37 g/mol
Exact Mass397.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3cnc(-n4cncn4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H16FN7O3/c1-11(27)21-7-14-8-25(18(28)29-14)13-2-3-15(16(19)4-13)12-5-22-17(23-6-12)26-10-20-9-24-26/h2-6,9-10,14H,7-8H2,1H3,(H,21,27)/t14-/m0/s1
InChIKeyUONUBOCPQDIAGF-AWEZNQCLSA-N
XLogP1.32
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11632661) is N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3cnc(-n4cncn4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UONUBOCPQDIAGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16FN7O3/c1-11(27)21-7-14-8-25(18(28)29-14)13-2-3-15(16(19)4-13)12-5-22-17(23-6-12)26-10-20-9-24-26/h2-6,9-10,14H,7-8H2,1H3,(H,21,27)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 397.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11632661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).