(5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C16H16FN7O2 — CID 10406033

IUPAC(5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(C[C@H]2CN(c3ccc(-n4cnc(C)n4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C16H16FN7O2/c1-10-6-22(21-19-10)7-13-8-23(16(25)26-13)12-3-4-15(14(17)5-12)24-9-18-11(2)20-24/h3-6,9,13H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyQNGGTATZMOUWRU-ZDUSSCGKSA-N
MW357.35 g/mol
LogP1.64
Rot. Bonds4

About (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 10406033) has the molecular formula C16H16FN7O2 and a molecular weight of 357.35 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID10406033
Molecular FormulaC16H16FN7O2
Molecular Weight357.35 g/mol
Exact Mass357.13
IUPAC Name(5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(C[C@H]2CN(c3ccc(-n4cnc(C)n4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C16H16FN7O2/c1-10-6-22(21-19-10)7-13-8-23(16(25)26-13)12-3-4-15(14(17)5-12)24-9-18-11(2)20-24/h3-6,9,13H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyQNGGTATZMOUWRU-ZDUSSCGKSA-N
XLogP1.64
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 10406033) is (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1cn(C[C@H]2CN(c3ccc(-n4cnc(C)n4)c(F)c3)C(=O)O2)nn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is QNGGTATZMOUWRU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16FN7O2/c1-10-6-22(21-19-10)7-13-8-23(16(25)26-13)12-3-4-15(14(17)5-12)24-9-18-11(2)20-24/h3-6,9,13H,7-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 357.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10406033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).