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

C15H14FN7O2 — CID 10337483

IUPAC(5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nn1
InChIInChI=1S/C15H14FN7O2/c1-21-9-14(18-20-21)12-3-2-10(6-13(12)16)23-8-11(25-15(23)24)7-22-5-4-17-19-22/h2-6,9,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyDPVDALVHDLRIQB-NSHDSACASA-N
MW343.32 g/mol
LogP1.24
Rot. Bonds4

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

(5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10337483) has the molecular formula C15H14FN7O2 and a molecular weight of 343.32 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID10337483
Molecular FormulaC15H14FN7O2
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC Name(5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nn1
InChIInChI=1S/C15H14FN7O2/c1-21-9-14(18-20-21)12-3-2-10(6-13(12)16)23-8-11(25-15(23)24)7-22-5-4-17-19-22/h2-6,9,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyDPVDALVHDLRIQB-NSHDSACASA-N
XLogP1.24
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 10337483) is (5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is Cn1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is DPVDALVHDLRIQB-NSHDSACASA-N. The full InChI is InChI=1S/C15H14FN7O2/c1-21-9-14(18-20-21)12-3-2-10(6-13(12)16)23-8-11(25-15(23)24)7-22-5-4-17-19-22/h2-6,9,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 343.32 g/mol, XLogP of 1.24, 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-(1-methyltriazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10337483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).