N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H18FN7O3 — CID 22274266

IUPACN-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(Cn4cnnn4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H18FN7O3/c1-12(28)21-8-16-10-27(19(29)30-16)15-4-5-17(18(20)6-15)13-2-3-14(22-7-13)9-26-11-23-24-25-26/h2-7,11,16H,8-10H2,1H3,(H,21,28)
InChIKeyIYCXJXZQOYLMCZ-UHFFFAOYSA-N
MW411.40 g/mol
LogP1.38
Rot. Bonds6

About N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22274266) has the molecular formula C19H18FN7O3 and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID22274266
Molecular FormulaC19H18FN7O3
Molecular Weight411.40 g/mol
Exact Mass411.15
IUPAC NameN-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(Cn4cnnn4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H18FN7O3/c1-12(28)21-8-16-10-27(19(29)30-16)15-4-5-17(18(20)6-15)13-2-3-14(22-7-13)9-26-11-23-24-25-26/h2-7,11,16H,8-10H2,1H3,(H,21,28)
InChIKeyIYCXJXZQOYLMCZ-UHFFFAOYSA-N
XLogP1.38
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22274266) is N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(Cn4cnnn4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is IYCXJXZQOYLMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O3/c1-12(28)21-8-16-10-27(19(29)30-16)15-4-5-17(18(20)6-15)13-2-3-14(22-7-13)9-26-11-23-24-25-26/h2-7,11,16H,8-10H2,1H3,(H,21,28).
What are the key properties of N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 411.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[6-(tetrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22274266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).