N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide

C15H22N4O2 — CID 71935688

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4O2/c1-14(2,3)13-16-12(18-21-13)15(4,5)17-11(20)10-8-7-9-19(10)6/h7-9H,1-6H3,(H,17,20)
InChIKeyQWZXKLUTNYOYEX-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.37
Rot. Bonds3

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 71935688) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide
PubChem CID71935688
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4O2/c1-14(2,3)13-16-12(18-21-13)15(4,5)17-11(20)10-8-7-9-19(10)6/h7-9H,1-6H3,(H,17,20)
InChIKeyQWZXKLUTNYOYEX-UHFFFAOYSA-N
XLogP2.37
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide (CID 71935688) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is QWZXKLUTNYOYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-14(2,3)13-16-12(18-21-13)15(4,5)17-11(20)10-8-7-9-19(10)6/h7-9H,1-6H3,(H,17,20).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71935688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).