N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C15H18N4O5S — CID 2051227

IUPACN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1
InChIInChI=1S/C15H18N4O5S/c1-23-10-13-17-18-15(24-13)16-14(20)11-4-6-12(7-5-11)25(21,22)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,16,18,20)
InChIKeyVVTUABBZLAUFCV-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.25
Rot. Bonds6

About N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2051227) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2051227
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC NameN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1
InChIInChI=1S/C15H18N4O5S/c1-23-10-13-17-18-15(24-13)16-14(20)11-4-6-12(7-5-11)25(21,22)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,16,18,20)
InChIKeyVVTUABBZLAUFCV-UHFFFAOYSA-N
XLogP1.25
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2051227) is N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VVTUABBZLAUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-23-10-13-17-18-15(24-13)16-14(20)11-4-6-12(7-5-11)25(21,22)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,16,18,20).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 366.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2051227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).