(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate

C14H19N5O6S — CID 71863636

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate
SMILESCC(C)(C)c1nc(COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)no1
InChIInChI=1S/C14H19N5O6S/c1-14(2,3)13-18-10(19-25-13)7-24-11(20)6-17-26(22,23)8-4-9(12(15)21)16-5-8/h4-5,16-17H,6-7H2,1-3H3,(H2,15,21)
InChIKeyRULTXEJICKPUTK-UHFFFAOYSA-N
MW385.40 g/mol
LogP-0.18
Rot. Bonds7

About (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate

(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate (PubChem CID 71863636) has the molecular formula C14H19N5O6S and a molecular weight of 385.40 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate
PubChem CID71863636
Molecular FormulaC14H19N5O6S
Molecular Weight385.40 g/mol
Exact Mass385.11
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate
SMILESCC(C)(C)c1nc(COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)no1
InChIInChI=1S/C14H19N5O6S/c1-14(2,3)13-18-10(19-25-13)7-24-11(20)6-17-26(22,23)8-4-9(12(15)21)16-5-8/h4-5,16-17H,6-7H2,1-3H3,(H2,15,21)
InChIKeyRULTXEJICKPUTK-UHFFFAOYSA-N
XLogP-0.18
TPSA170.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate (CID 71863636) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate is CC(C)(C)c1nc(COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)no1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate?
The InChIKey is RULTXEJICKPUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O6S/c1-14(2,3)13-18-10(19-25-13)7-24-11(20)6-17-26(22,23)8-4-9(12(15)21)16-5-8/h4-5,16-17H,6-7H2,1-3H3,(H2,15,21).
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate has a molecular weight of 385.40 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 2-[(5-carbamoyl-1H-pyrrol-3-yl)sulfonylamino]acetate is sourced from PubChem (CID 71863636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).