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

C15H14FN7O2 — CID 69365238

IUPAC(5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1cn(-c2ccc(N3C[C@H](Cn4ncnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C15H14FN7O2/c1-10-5-21(9-17-10)14-3-2-11(4-13(14)16)22-6-12(25-15(22)24)7-23-19-8-18-20-23/h2-5,8-9,12H,6-7H2,1H3/t12-/m1/s1
InChIKeyUHYWWQJUQBMCHG-GFCCVEGCSA-N
MW343.32 g/mol
LogP1.33
Rot. Bonds4

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

(5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 69365238) has the molecular formula C15H14FN7O2 and a molecular weight of 343.32 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID69365238
Molecular FormulaC15H14FN7O2
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC Name(5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1cn(-c2ccc(N3C[C@H](Cn4ncnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C15H14FN7O2/c1-10-5-21(9-17-10)14-3-2-11(4-13(14)16)22-6-12(25-15(22)24)7-23-19-8-18-20-23/h2-5,8-9,12H,6-7H2,1H3/t12-/m1/s1
InChIKeyUHYWWQJUQBMCHG-GFCCVEGCSA-N
XLogP1.33
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 ≤ 51.33
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-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one (CID 69365238) is (5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one is Cc1cn(-c2ccc(N3C[C@H](Cn4ncnn4)OC3=O)cc2F)cn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is UHYWWQJUQBMCHG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14FN7O2/c1-10-5-21(9-17-10)14-3-2-11(4-13(14)16)22-6-12(25-15(22)24)7-23-19-8-18-20-23/h2-5,8-9,12H,6-7H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 343.32 g/mol, XLogP of 1.33, 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-(4-methylimidazol-1-yl)phenyl]-5-(tetrazol-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69365238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).