N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

C27H19ClF3N3O2 — CID 90281367

IUPACN-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccc(F)cc12)NC(Cc1cc(F)cc(F)c1)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C27H19ClF3N3O2/c28-18-3-1-16(2-4-18)27-26(33-14-36-27)24(9-15-7-20(30)11-21(31)8-15)34-25(35)10-17-13-32-23-6-5-19(29)12-22(17)23/h1-8,11-14,24,32H,9-10H2,(H,34,35)
InChIKeyVLXSKRWCKCNIOD-UHFFFAOYSA-N
MW509.92 g/mol
LogP6.54
Rot. Bonds7

About N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (PubChem CID 90281367) has the molecular formula C27H19ClF3N3O2 and a molecular weight of 509.92 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
PubChem CID90281367
Molecular FormulaC27H19ClF3N3O2
Molecular Weight509.92 g/mol
Exact Mass509.11
IUPAC NameN-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccc(F)cc12)NC(Cc1cc(F)cc(F)c1)c1ncoc1-c1ccc(Cl)cc1
InChIInChI=1S/C27H19ClF3N3O2/c28-18-3-1-16(2-4-18)27-26(33-14-36-27)24(9-15-7-20(30)11-21(31)8-15)34-25(35)10-17-13-32-23-6-5-19(29)12-22(17)23/h1-8,11-14,24,32H,9-10H2,(H,34,35)
InChIKeyVLXSKRWCKCNIOD-UHFFFAOYSA-N
XLogP6.54
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.92
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (CID 90281367) is N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccc(F)cc12)NC(Cc1cc(F)cc(F)c1)c1ncoc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is VLXSKRWCKCNIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClF3N3O2/c28-18-3-1-16(2-4-18)27-26(33-14-36-27)24(9-15-7-20(30)11-21(31)8-15)34-25(35)10-17-13-32-23-6-5-19(29)12-22(17)23/h1-8,11-14,24,32H,9-10H2,(H,34,35).
What are the key properties of N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 509.92 g/mol, XLogP of 6.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 90281367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).