N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide

C13H17N3O5S — CID 9187662

IUPACN-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide
SMILESCC[C@@H](C)[C@H](NC(=O)c1ccco1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C13H17N3O5S/c1-4-8(2)10(14-11(17)9-6-5-7-20-9)12-15-16-13(21-12)22(3,18)19/h5-8,10H,4H2,1-3H3,(H,14,17)/t8-,10+/m1/s1
InChIKeyDRDPEDDPXWSBBO-SCZZXKLOSA-N
MW327.36 g/mol
LogP1.58
Rot. Bonds6

About N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide

N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide (PubChem CID 9187662) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide
PubChem CID9187662
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide
SMILESCC[C@@H](C)[C@H](NC(=O)c1ccco1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C13H17N3O5S/c1-4-8(2)10(14-11(17)9-6-5-7-20-9)12-15-16-13(21-12)22(3,18)19/h5-8,10H,4H2,1-3H3,(H,14,17)/t8-,10+/m1/s1
InChIKeyDRDPEDDPXWSBBO-SCZZXKLOSA-N
XLogP1.58
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide
CID 9187666
N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide
CID 9190869
N-[(1R,2S)-2-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 98370359
tert-butyl N-[(1S,2R)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 2027582
N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185498
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide
CID 91635492
tert-butyl N-[(1R,2R)-1-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 51554579
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide (CID 9187662) is N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide is CC[C@@H](C)[C@H](NC(=O)c1ccco1)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide?
The InChIKey is DRDPEDDPXWSBBO-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-4-8(2)10(14-11(17)9-6-5-7-20-9)12-15-16-13(21-12)22(3,18)19/h5-8,10H,4H2,1-3H3,(H,14,17)/t8-,10+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide?
N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]furan-2-carboxamide is sourced from PubChem (CID 9187662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).