N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide

C24H25F2N3O5S — CID 44603061

IUPACN-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide
SMILESCC1CCCc2c(Oc3nc(C(=O)NCCc4cc(F)c(NS(C)(=O)=O)c(F)c4)co3)cccc21
InChIInChI=1S/C24H25F2N3O5S/c1-14-5-3-7-17-16(14)6-4-8-21(17)34-24-28-20(13-33-24)23(30)27-10-9-15-11-18(25)22(19(26)12-15)29-35(2,31)32/h4,6,8,11-14,29H,3,5,7,9-10H2,1-2H3,(H,27,30)
InChIKeyFEPZQRVRHIWTOF-UHFFFAOYSA-N
MW505.54 g/mol
LogP4.53
Rot. Bonds8

About N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide

N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide (PubChem CID 44603061) has the molecular formula C24H25F2N3O5S and a molecular weight of 505.54 g/mol. Its IUPAC name is N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide
PubChem CID44603061
Molecular FormulaC24H25F2N3O5S
Molecular Weight505.54 g/mol
Exact Mass505.15
IUPAC NameN-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide
SMILESCC1CCCc2c(Oc3nc(C(=O)NCCc4cc(F)c(NS(C)(=O)=O)c(F)c4)co3)cccc21
InChIInChI=1S/C24H25F2N3O5S/c1-14-5-3-7-17-16(14)6-4-8-21(17)34-24-28-20(13-33-24)23(30)27-10-9-15-11-18(25)22(19(26)12-15)29-35(2,31)32/h4,6,8,11-14,29H,3,5,7,9-10H2,1-2H3,(H,27,30)
InChIKeyFEPZQRVRHIWTOF-UHFFFAOYSA-N
XLogP4.53
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-chloro-N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 67111129
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
CID 44602936
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(1,1,1-trifluoropropan-2-yl)phenoxy]-1,3-oxazole-4-carboxamide
CID 67111314
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 67112020
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-7-(trifluoromethyl)quinoline-3-carboxamide
CID 25008131
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 67237818
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 67111279
2-N-[2-(4-fluorophenyl)ethyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093654
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(propan-2-ylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 69043623
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide
CID 67239219
2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 121110596

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide (CID 44603061) is N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide is CC1CCCc2c(Oc3nc(C(=O)NCCc4cc(F)c(NS(C)(=O)=O)c(F)c4)co3)cccc21.
What is the InChIKey of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide?
The InChIKey is FEPZQRVRHIWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O5S/c1-14-5-3-7-17-16(14)6-4-8-21(17)34-24-28-20(13-33-24)23(30)27-10-9-15-11-18(25)22(19(26)12-15)29-35(2,31)32/h4,6,8,11-14,29H,3,5,7,9-10H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide?
N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide has a molecular weight of 505.54 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[(5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 44603061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).