(2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol

C20H15ClF3N5O2 — CID 166064945

IUPAC(2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol
SMILESC[C@@H](c1cc(-c2ccc(F)c(Cl)c2)no1)[C@](O)(Cn1cnnn1)c1ccc(F)cc1F
InChIInChI=1S/C20H15ClF3N5O2/c1-11(19-8-18(26-31-19)12-2-5-16(23)15(21)6-12)20(30,9-29-10-25-27-28-29)14-4-3-13(22)7-17(14)24/h2-8,10-11,30H,9H2,1H3/t11-,20+/m0/s1
InChIKeyUDKVNRXGNBHHNA-PRWKNARSSA-N
MW449.82 g/mol
LogP4.09
Rot. Bonds6

About (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol

(2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol (PubChem CID 166064945) has the molecular formula C20H15ClF3N5O2 and a molecular weight of 449.82 g/mol. Its IUPAC name is (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol
PubChem CID166064945
Molecular FormulaC20H15ClF3N5O2
Molecular Weight449.82 g/mol
Exact Mass449.09
IUPAC Name(2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol
SMILESC[C@@H](c1cc(-c2ccc(F)c(Cl)c2)no1)[C@](O)(Cn1cnnn1)c1ccc(F)cc1F
InChIInChI=1S/C20H15ClF3N5O2/c1-11(19-8-18(26-31-19)12-2-5-16(23)15(21)6-12)20(30,9-29-10-25-27-28-29)14-4-3-13(22)7-17(14)24/h2-8,10-11,30H,9H2,1H3/t11-,20+/m0/s1
InChIKeyUDKVNRXGNBHHNA-PRWKNARSSA-N
XLogP4.09
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3R)-2-(2,4-difluorophenyl)-3-[3-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]-1-(tetrazol-1-yl)butan-2-ol
CID 171776307
(2R,3R)-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)-3-[3-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]butan-2-ol
CID 171776290
(3R)-3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 175024974
(2S)-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)-3-[3-[4-(2,2,2-trifluoroethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]butan-2-ol
CID 171759347
1-[5-(2-chloropyrimidin-5-yl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 71478182
2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-2-ol
CID 71476550
2-(2,4-difluorophenyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 175025315
(2R,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67148426
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol
CID 71138859
1-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 71139096
(2S,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[4-(1,2,4-triazol-4-yl)phenyl]butan-2-ol
CID 56992565
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol
CID 175025581

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol (CID 166064945) is (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol is C[C@@H](c1cc(-c2ccc(F)c(Cl)c2)no1)[C@](O)(Cn1cnnn1)c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol?
The InChIKey is UDKVNRXGNBHHNA-PRWKNARSSA-N. The full InChI is InChI=1S/C20H15ClF3N5O2/c1-11(19-8-18(26-31-19)12-2-5-16(23)15(21)6-12)20(30,9-29-10-25-27-28-29)14-4-3-13(22)7-17(14)24/h2-8,10-11,30H,9H2,1H3/t11-,20+/m0/s1.
What are the key properties of (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol?
(2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol has a molecular weight of 449.82 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol is sourced from PubChem (CID 166064945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).