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

C20H19FN6O3 — CID 11441235

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4ncnn4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H19FN6O3/c1-13(28)22-9-17-11-26(20(29)30-17)16-6-7-18(19(21)8-16)15-4-2-14(3-5-15)10-27-24-12-23-25-27/h2-8,12,17H,9-11H2,1H3,(H,22,28)/t17-/m0/s1
InChIKeyMKWHQDXCSLNKCJ-KRWDZBQOSA-N
MW410.41 g/mol
LogP1.99
Rot. Bonds6

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

N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11441235) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11441235
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4ncnn4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H19FN6O3/c1-13(28)22-9-17-11-26(20(29)30-17)16-6-7-18(19(21)8-16)15-4-2-14(3-5-15)10-27-24-12-23-25-27/h2-8,12,17H,9-11H2,1H3,(H,22,28)/t17-/m0/s1
InChIKeyMKWHQDXCSLNKCJ-KRWDZBQOSA-N
XLogP1.99
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11441235) is N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4ncnn4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is MKWHQDXCSLNKCJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-13(28)22-9-17-11-26(20(29)30-17)16-6-7-18(19(21)8-16)15-4-2-14(3-5-15)10-27-24-12-23-25-27/h2-8,12,17H,9-11H2,1H3,(H,22,28)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 410.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-(tetrazol-2-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11441235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).