N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C16H14FN5O3 — CID 70277567

IUPACN-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ncc(C#N)[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H14FN5O3/c1-9(23)19-7-12-8-22(16(24)25-12)11-2-3-13(14(17)4-11)15-20-6-10(5-18)21-15/h2-4,6,12H,7-8H2,1H3,(H,19,23)(H,20,21)/t12-/m0/s1
InChIKeyDLWKDDDDZQDLQH-LBPRGKRZSA-N
MW343.32 g/mol
LogP1.55
Rot. Bonds4

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

N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70277567) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70277567
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC NameN-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ncc(C#N)[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H14FN5O3/c1-9(23)19-7-12-8-22(16(24)25-12)11-2-3-13(14(17)4-11)15-20-6-10(5-18)21-15/h2-4,6,12H,7-8H2,1H3,(H,19,23)(H,20,21)/t12-/m0/s1
InChIKeyDLWKDDDDZQDLQH-LBPRGKRZSA-N
XLogP1.55
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70277567) is N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ncc(C#N)[nH]3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DLWKDDDDZQDLQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-9(23)19-7-12-8-22(16(24)25-12)11-2-3-13(14(17)4-11)15-20-6-10(5-18)21-15/h2-4,6,12H,7-8H2,1H3,(H,19,23)(H,20,21)/t12-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 343.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(5-cyano-1H-imidazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70277567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).