N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide

C17H18N4O5S — CID 166214660

IUPACN-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1noc(-c2cc(-c3ccc4c(c3)CCO4)no2)n1
InChIInChI=1S/C17H18N4O5S/c1-17(2,21-27(3,22)23)16-18-15(26-20-16)14-9-12(19-25-14)10-4-5-13-11(8-10)6-7-24-13/h4-5,8-9,21H,6-7H2,1-3H3
InChIKeyISANUKQIPMBPHW-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.11
Rot. Bonds5

About N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide

N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide (PubChem CID 166214660) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide
PubChem CID166214660
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC NameN-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1noc(-c2cc(-c3ccc4c(c3)CCO4)no2)n1
InChIInChI=1S/C17H18N4O5S/c1-17(2,21-27(3,22)23)16-18-15(26-20-16)14-9-12(19-25-14)10-4-5-13-11(8-10)6-7-24-13/h4-5,8-9,21H,6-7H2,1-3H3
InChIKeyISANUKQIPMBPHW-UHFFFAOYSA-N
XLogP2.11
TPSA120.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole
CID 166213411
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole
CID 116861912
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
CID 110002452
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119881833
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855219
ethyl 5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379362
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890568
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide (CID 166214660) is N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide is CC(C)(NS(C)(=O)=O)c1noc(-c2cc(-c3ccc4c(c3)CCO4)no2)n1.
What is the InChIKey of N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide?
The InChIKey is ISANUKQIPMBPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-17(2,21-27(3,22)23)16-18-15(26-20-16)14-9-12(19-25-14)10-4-5-13-11(8-10)6-7-24-13/h4-5,8-9,21H,6-7H2,1-3H3.
What are the key properties of N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide?
N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide has a molecular weight of 390.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 166214660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).