N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide

C13H20N6O2 — CID 56893744

IUPACN,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2nc(C(C)C)no2)nn1
InChIInChI=1S/C13H20N6O2/c1-5-18(6-2)11(20)8-19-7-10(15-17-19)13-14-12(9(3)4)16-21-13/h7,9H,5-6,8H2,1-4H3
InChIKeyPASWPPBBDDHWJQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.32
Rot. Bonds6

About N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide

N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide (PubChem CID 56893744) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide
PubChem CID56893744
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC NameN,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2nc(C(C)C)no2)nn1
InChIInChI=1S/C13H20N6O2/c1-5-18(6-2)11(20)8-19-7-10(15-17-19)13-14-12(9(3)4)16-21-13/h7,9H,5-6,8H2,1-4H3
InChIKeyPASWPPBBDDHWJQ-UHFFFAOYSA-N
XLogP1.32
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide (CID 56893744) is N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide is CCN(CC)C(=O)Cn1cc(-c2nc(C(C)C)no2)nn1.
What is the InChIKey of N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide?
The InChIKey is PASWPPBBDDHWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-5-18(6-2)11(20)8-19-7-10(15-17-19)13-14-12(9(3)4)16-21-13/h7,9H,5-6,8H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide?
N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 56893744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).