2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide

C16H15N3O5S — CID 43978186

IUPAC2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)c(C)o1
InChIInChI=1S/C16H15N3O5S/c1-9-8-12(10(2)23-9)14(20)17-16-19-18-15(24-16)11-6-4-5-7-13(11)25(3,21)22/h4-8H,1-3H3,(H,17,19,20)
InChIKeyDZYYOCBVNHQWIU-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.60
Rot. Bonds4

About 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide

2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide (PubChem CID 43978186) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
PubChem CID43978186
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)c(C)o1
InChIInChI=1S/C16H15N3O5S/c1-9-8-12(10(2)23-9)14(20)17-16-19-18-15(24-16)11-6-4-5-7-13(11)25(3,21)22/h4-8H,1-3H3,(H,17,19,20)
InChIKeyDZYYOCBVNHQWIU-UHFFFAOYSA-N
XLogP2.60
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578185
2,4-dichloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18576963
4-(dimethylamino)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7553131
3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578150
4-ethoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578193
3-butoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578184
2,5-dimethyl-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide
CID 71780995
3-(1,3-benzodioxol-5-yl)-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 71962003
4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603183
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide
CID 43981074
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90603114
2,4-dichloro-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603103

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide (CID 43978186) is 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide is Cc1cc(C(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide?
The InChIKey is DZYYOCBVNHQWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-9-8-12(10(2)23-9)14(20)17-16-19-18-15(24-16)11-6-4-5-7-13(11)25(3,21)22/h4-8H,1-3H3,(H,17,19,20).
What are the key properties of 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide?
2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 43978186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).