(2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C24H19Cl2FN2O4 — CID 155254347

IUPAC(2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC12CC(c3ncc(-c4ccc(Cl)c(F)c4)o3)(C1)C2)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C24H19Cl2FN2O4/c25-13-2-4-18-14(6-13)17(30)7-19(32-18)21(31)29-24-9-23(10-24,11-24)22-28-8-20(33-22)12-1-3-15(26)16(27)5-12/h1-6,8,17,19,30H,7,9-11H2,(H,29,31)/t17-,19+,23?,24?/m1/s1
InChIKeyBLSXAVXBKSWFDB-PKCFSEMTSA-N
MW489.33 g/mol
LogP4.96
Rot. Bonds4

About (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254347) has the molecular formula C24H19Cl2FN2O4 and a molecular weight of 489.33 g/mol. Its IUPAC name is (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID155254347
Molecular FormulaC24H19Cl2FN2O4
Molecular Weight489.33 g/mol
Exact Mass488.07
IUPAC Name(2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC12CC(c3ncc(-c4ccc(Cl)c(F)c4)o3)(C1)C2)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C24H19Cl2FN2O4/c25-13-2-4-18-14(6-13)17(30)7-19(32-18)21(31)29-24-9-23(10-24,11-24)22-28-8-20(33-22)12-1-3-15(26)16(27)5-12/h1-6,8,17,19,30H,7,9-11H2,(H,29,31)/t17-,19+,23?,24?/m1/s1
InChIKeyBLSXAVXBKSWFDB-PKCFSEMTSA-N
XLogP4.96
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.33
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 137491718
2-(4-chloro-3-fluorophenoxy)-N-[(3R)-4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155092482
(2S,4R)-6-chloro-4-hydroxy-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxy-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254268
(2R,4R)-6-chloro-4-hydroxy-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxy-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254270
(2R,4R)-6-chloro-N-[3-[2-(4-chloro-3-fluorophenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254338
(2R,4R)-6-chloro-4-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[2.2.2]octanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254399
(2R,4R)-6-chloro-4-hydroxy-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254414
(2R,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254535
(2R,4R)-6-chloro-4-hydroxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254666
(2R,4R)-6-chloro-4-hydroxy-N-[(3R,6S)-6-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]oxan-3-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254756
N-[3-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,3-oxazole-5-carboxamide
CID 155256815
(2R,4R)-6-chloro-4-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]but-1-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155263129

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254347) is (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC12CC(c3ncc(-c4ccc(Cl)c(F)c4)o3)(C1)C2)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is BLSXAVXBKSWFDB-PKCFSEMTSA-N. The full InChI is InChI=1S/C24H19Cl2FN2O4/c25-13-2-4-18-14(6-13)17(30)7-19(32-18)21(31)29-24-9-23(10-24,11-24)22-28-8-20(33-22)12-1-3-15(26)16(27)5-12/h1-6,8,17,19,30H,7,9-11H2,(H,29,31)/t17-,19+,23?,24?/m1/s1.
What are the key properties of (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
(2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 489.33 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-6-chloro-N-[3-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).