N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide

C11H19N3O3 — CID 43572942

IUPACN-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide
SMILESCc1noc(CCC(=O)N(CCO)C(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-8(2)14(6-7-15)11(16)5-4-10-12-9(3)13-17-10/h8,15H,4-7H2,1-3H3
InChIKeyNGBNUUCYQRSARA-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.54
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide

N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide (PubChem CID 43572942) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide
PubChem CID43572942
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide
SMILESCc1noc(CCC(=O)N(CCO)C(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-8(2)14(6-7-15)11(16)5-4-10-12-9(3)13-17-10/h8,15H,4-7H2,1-3H3
InChIKeyNGBNUUCYQRSARA-UHFFFAOYSA-N
XLogP0.54
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide (CID 43572942) is N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide is Cc1noc(CCC(=O)N(CCO)C(C)C)n1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide?
The InChIKey is NGBNUUCYQRSARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(2)14(6-7-15)11(16)5-4-10-12-9(3)13-17-10/h8,15H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide?
N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide has a molecular weight of 241.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43572942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).