N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide

C12H21N3O3 — CID 109380773

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C12H21N3O3/c1-7(2)10(16)12(4,5)6-13-11(17)9-8(3)14-18-15-9/h7,10,16H,6H2,1-5H3,(H,13,17)
InChIKeyBCUWHXHZDFWTBX-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.15
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 109380773) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID109380773
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C12H21N3O3/c1-7(2)10(16)12(4,5)6-13-11(17)9-8(3)14-18-15-9/h7,10,16H,6H2,1-5H3,(H,13,17)
InChIKeyBCUWHXHZDFWTBX-UHFFFAOYSA-N
XLogP1.15
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
4-methyl-N-(2-methylprop-2-enyl)-1,2,5-oxadiazole-3-carboxamide
CID 130992052
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390007
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide
CID 109380881
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
CID 109380934
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methylsulfonylpyridine-2-carboxamide
CID 122152979
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethylpyridine-3-carboxamide
CID 110028174
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
(2S)-2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 130637404
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 109380773) is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCC(C)(C)C(O)C(C)C.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BCUWHXHZDFWTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-7(2)10(16)12(4,5)6-13-11(17)9-8(3)14-18-15-9/h7,10,16H,6H2,1-5H3,(H,13,17).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 109380773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).