N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C12H21N3O3 — CID 110893892

IUPACN-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCCCO)n1
InChIInChI=1S/C12H21N3O3/c1-9(2)12-14-11(18-15-12)6-3-5-10(17)13-7-4-8-16/h9,16H,3-8H2,1-2H3,(H,13,17)
InChIKeyFVKKFSBPNNISGF-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.01
Rot. Bonds8

About N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 110893892) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID110893892
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)NCCCO)n1
InChIInChI=1S/C12H21N3O3/c1-9(2)12-14-11(18-15-12)6-3-5-10(17)13-7-4-8-16/h9,16H,3-8H2,1-2H3,(H,13,17)
InChIKeyFVKKFSBPNNISGF-UHFFFAOYSA-N
XLogP1.01
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
N-(3-hydroxybutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111433361
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111445129
N-[(1-hydroxycycloheptyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111428658
N-(3-hydroxy-4-methylpentyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111461301
N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119496886
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119392356
N-methyl-N-propan-2-yl-4-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]benzamide
CID 55760328

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 110893892) is N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)NCCCO)n1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is FVKKFSBPNNISGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9(2)12-14-11(18-15-12)6-3-5-10(17)13-7-4-8-16/h9,16H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 255.32 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 110893892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).