(4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone

C20H17ClF2N4O2 — CID 14706491

IUPAC(4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone
SMILESCC1N(C(=O)c2ccc(Cl)cc2)COC1(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C20H17ClF2N4O2/c1-13-20(9-26-11-24-10-25-26,17-7-6-16(22)8-18(17)23)29-12-27(13)19(28)14-2-4-15(21)5-3-14/h2-8,10-11,13H,9,12H2,1H3
InChIKeyPOJLKXYILUGHKG-UHFFFAOYSA-N
MW418.83 g/mol
LogP3.62
Rot. Bonds4

About (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone

(4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone (PubChem CID 14706491) has the molecular formula C20H17ClF2N4O2 and a molecular weight of 418.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone
PubChem CID14706491
Molecular FormulaC20H17ClF2N4O2
Molecular Weight418.83 g/mol
Exact Mass418.10
IUPAC Name(4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone
SMILESCC1N(C(=O)c2ccc(Cl)cc2)COC1(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C20H17ClF2N4O2/c1-13-20(9-26-11-24-10-25-26,17-7-6-16(22)8-18(17)23)29-12-27(13)19(28)14-2-4-15(21)5-3-14/h2-8,10-11,13H,9,12H2,1H3
InChIKeyPOJLKXYILUGHKG-UHFFFAOYSA-N
XLogP3.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.83
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Chlorophenyl)-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]piperazin-1-yl]methanone
CID 44409952
(2-Chlorophenyl)-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]piperazin-1-yl]methanone
CID 44409958
[(2R,3R)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 460106
(5R,6R)-6-(2,4-dichlorophenyl)-5-methyl-6-(1,2,4-triazol-1-ylmethyl)-4-[4-(trifluoromethyl)benzoyl]morpholin-2-one
CID 466046
[(2R,3R)-2-(2,4-dichlorophenyl)-6-hydroxy-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 466049
3-(4-chlorophenyl)-N-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 5480572
4-(4-chlorophenyl)-N-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 5480573
4-chloro-N-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 5481906
[(2R,3R,6R)-2-(2,4-dichlorophenyl)-6-hydroxy-3-methyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 44350957
[(2R,3R)-3-methyl-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]-phenylmethanone
CID 44351011
6-chloro-2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]isoquinolin-1-one
CID 177642840
6-chloro-2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]isoquinolin-1-one
CID 177652546

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone (CID 14706491) is (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone is CC1N(C(=O)c2ccc(Cl)cc2)COC1(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone?
The InChIKey is POJLKXYILUGHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O2/c1-13-20(9-26-11-24-10-25-26,17-7-6-16(22)8-18(17)23)29-12-27(13)19(28)14-2-4-15(21)5-3-14/h2-8,10-11,13H,9,12H2,1H3.
What are the key properties of (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone?
(4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone has a molecular weight of 418.83 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]methanone is sourced from PubChem (CID 14706491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).