N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide

C12H16N4O3S — CID 110318742

IUPACN-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C12H16N4O3S/c1-2-3-7-20(17,18)14-9-11-15-16-12(19-11)10-5-4-6-13-8-10/h4-6,8,14H,2-3,7,9H2,1H3
InChIKeyWXMXYZSTIHJTDU-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.35
Rot. Bonds7

About N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide

N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide (PubChem CID 110318742) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide
PubChem CID110318742
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C12H16N4O3S/c1-2-3-7-20(17,18)14-9-11-15-16-12(19-11)10-5-4-6-13-8-10/h4-6,8,14H,2-3,7,9H2,1H3
InChIKeyWXMXYZSTIHJTDU-UHFFFAOYSA-N
XLogP1.35
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 110318782
4-ethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318797
3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318763
N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide
CID 110368339
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067
N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pentanamide
CID 4621791
N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 110660420
2-(3-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanesulfonamide
CID 110606841
3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318682
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318698
2-(4-methylphenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318717
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide (CID 110318742) is N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1nnc(-c2cccnc2)o1.
What is the InChIKey of N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is WXMXYZSTIHJTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-3-7-20(17,18)14-9-11-15-16-12(19-11)10-5-4-6-13-8-10/h4-6,8,14H,2-3,7,9H2,1H3.
What are the key properties of N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide?
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110318742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).