6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

C23H22ClF3N2O5 — CID 155254277

IUPAC6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC12CC(c3nc(C4CC(OC(F)(F)F)C4)co3)(C1)C2)C1CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C23H22ClF3N2O5/c24-12-1-2-17-14(5-12)16(30)6-18(33-17)19(31)29-22-8-21(9-22,10-22)20-28-15(7-32-20)11-3-13(4-11)34-23(25,26)27/h1-2,5,7,11,13,16,18,30H,3-4,6,8-10H2,(H,29,31)
InChIKeyLCCKOYFHPFQKFT-UHFFFAOYSA-N
MW498.89 g/mol
LogP4.29
Rot. Bonds5

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

6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254277) has the molecular formula C23H22ClF3N2O5 and a molecular weight of 498.89 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID155254277
Molecular FormulaC23H22ClF3N2O5
Molecular Weight498.89 g/mol
Exact Mass498.12
IUPAC Name6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC12CC(c3nc(C4CC(OC(F)(F)F)C4)co3)(C1)C2)C1CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C23H22ClF3N2O5/c24-12-1-2-17-14(5-12)16(30)6-18(33-17)19(31)29-22-8-21(9-22,10-22)20-28-15(7-32-20)11-3-13(4-11)34-23(25,26)27/h1-2,5,7,11,13,16,18,30H,3-4,6,8-10H2,(H,29,31)
InChIKeyLCCKOYFHPFQKFT-UHFFFAOYSA-N
XLogP4.29
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.89
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254277) is 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC12CC(c3nc(C4CC(OC(F)(F)F)C4)co3)(C1)C2)C1CC(O)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is LCCKOYFHPFQKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N2O5/c24-12-1-2-17-14(5-12)16(30)6-18(33-17)19(31)29-22-8-21(9-22,10-22)20-28-15(7-32-20)11-3-13(4-11)34-23(25,26)27/h1-2,5,7,11,13,16,18,30H,3-4,6,8-10H2,(H,29,31).
What are the key properties of 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 498.89 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).