(5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C21H18FN5O3 — CID 10386676

IUPAC(5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOCC3)cc2)c(F)c1
InChIInChI=1S/C21H18FN5O3/c22-19-11-16(27-13-17(30-21(27)28)12-26-9-8-23-25-26)5-6-18(19)14-1-3-15(4-2-14)20-7-10-29-24-20/h1-6,8-9,11,17H,7,10,12-13H2/t17-/m0/s1
InChIKeyWXMQYEJTHTYUIA-KRWDZBQOSA-N
MW407.41 g/mol
LogP3.23
Rot. Bonds5

About (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10386676) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID10386676
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name(5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOCC3)cc2)c(F)c1
InChIInChI=1S/C21H18FN5O3/c22-19-11-16(27-13-17(30-21(27)28)12-26-9-8-23-25-26)5-6-18(19)14-1-3-15(4-2-14)20-7-10-29-24-20/h1-6,8-9,11,17H,7,10,12-13H2/t17-/m0/s1
InChIKeyWXMQYEJTHTYUIA-KRWDZBQOSA-N
XLogP3.23
TPSA81.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-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-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 10386676) is (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOCC3)cc2)c(F)c1.
What is the InChIKey of (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is WXMQYEJTHTYUIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H18FN5O3/c22-19-11-16(27-13-17(30-21(27)28)12-26-9-8-23-25-26)5-6-18(19)14-1-3-15(4-2-14)20-7-10-29-24-20/h1-6,8-9,11,17H,7,10,12-13H2/t17-/m0/s1.
What are the key properties of (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 407.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10386676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).