N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide

C18H18FN3O5S — CID 9190869

IUPACN-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H18FN3O5S/c1-11(2)15(20-16(23)14-4-3-9-26-14)17-21-22-18(27-17)28(24,25)10-12-5-7-13(19)8-6-12/h3-9,11,15H,10H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyQPDCLIBHFSIZGY-HNNXBMFYSA-N
MW407.42 g/mol
LogP2.90
Rot. Bonds7

About N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide

N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide (PubChem CID 9190869) has the molecular formula C18H18FN3O5S and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide
PubChem CID9190869
Molecular FormulaC18H18FN3O5S
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC NameN-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H18FN3O5S/c1-11(2)15(20-16(23)14-4-3-9-26-14)17-21-22-18(27-17)28(24,25)10-12-5-7-13(19)8-6-12/h3-9,11,15H,10H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyQPDCLIBHFSIZGY-HNNXBMFYSA-N
XLogP2.90
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]propanamide
CID 9190867
1-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-propylurea
CID 9190871
N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide
CID 9190784
N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide
CID 9187662
1-(4-fluorophenyl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide
CID 9186694
tert-butyl N-[(1S,2R)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 2027582
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
tert-butyl N-[(1R,2R)-1-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 51554565
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate
CID 66813442
1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-3-methylbutan-1-amine
CID 663816
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide (CID 9190869) is N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide?
The InChIKey is QPDCLIBHFSIZGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18FN3O5S/c1-11(2)15(20-16(23)14-4-3-9-26-14)17-21-22-18(27-17)28(24,25)10-12-5-7-13(19)8-6-12/h3-9,11,15H,10H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide?
N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide is sourced from PubChem (CID 9190869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).