N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C12H21N3O3 — CID 103771595

IUPACN-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NCC(O)CC(C)C)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)6-10(16)7-13-11(17)4-5-12-14-9(3)15-18-12/h8,10,16H,4-7H2,1-3H3,(H,13,17)
InChIKeyHWIYCDAFHKMWTO-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.83
Rot. Bonds7

About N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 103771595) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID103771595
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)NCC(O)CC(C)C)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)6-10(16)7-13-11(17)4-5-12-14-9(3)15-18-12/h8,10,16H,4-7H2,1-3H3,(H,13,17)
InChIKeyHWIYCDAFHKMWTO-UHFFFAOYSA-N
XLogP0.83
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide 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-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726364
(2S)-4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 61154132
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-phenylpropanoic acid
CID 119254469
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218977
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 111112198
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid
CID 119253072
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956882

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 103771595) is N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)NCC(O)CC(C)C)n1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is HWIYCDAFHKMWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)6-10(16)7-13-11(17)4-5-12-14-9(3)15-18-12/h8,10,16H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 255.32 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 103771595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).