N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide

C19H17FN4O3 — CID 91377366

IUPACN-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CN(c2ccc(-c3ccnc(CC#N)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17FN4O3/c1-12(25)23(2)18-11-24(19(26)27-18)15-3-4-16(17(20)10-15)13-6-8-22-14(9-13)5-7-21/h3-4,6,8-10,18H,5,11H2,1-2H3/t18-/m0/s1
InChIKeyKWBKFRBOUZYBAF-SFHVURJKSA-N
MW368.37 g/mol
LogP2.71
Rot. Bonds4

About N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide

N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide (PubChem CID 91377366) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
PubChem CID91377366
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CN(c2ccc(-c3ccnc(CC#N)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17FN4O3/c1-12(25)23(2)18-11-24(19(26)27-18)15-3-4-16(17(20)10-15)13-6-8-22-14(9-13)5-7-21/h3-4,6,8-10,18H,5,11H2,1-2H3/t18-/m0/s1
InChIKeyKWBKFRBOUZYBAF-SFHVURJKSA-N
XLogP2.71
TPSA86.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The IUPAC name of N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide (CID 91377366) is N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The canonical SMILES for N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CN(c2ccc(-c3ccnc(CC#N)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The InChIKey is KWBKFRBOUZYBAF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-12(25)23(2)18-11-24(19(26)27-18)15-3-4-16(17(20)10-15)13-6-8-22-14(9-13)5-7-21/h3-4,6,8-10,18H,5,11H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide has a molecular weight of 368.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-3-[4-[2-(cyanomethyl)-4-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 91377366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).