N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide

C13H23N3O2 — CID 60590938

IUPACN-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
SMILESCCCCC(=O)NCCCc1nc(C(C)C)no1
InChIInChI=1S/C13H23N3O2/c1-4-5-7-11(17)14-9-6-8-12-15-13(10(2)3)16-18-12/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyILCWAIKBPPKQHB-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.43
Rot. Bonds8

About N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide

N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide (PubChem CID 60590938) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide.

Molecular Properties

Compound NameN-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
PubChem CID60590938
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
SMILESCCCCC(=O)NCCCc1nc(C(C)C)no1
InChIInChI=1S/C13H23N3O2/c1-4-5-7-11(17)14-9-6-8-12-15-13(10(2)3)16-18-12/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyILCWAIKBPPKQHB-UHFFFAOYSA-N
XLogP2.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
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-(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
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111445129
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
N-[(1-hydroxycycloheptyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111428658
N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119392356
1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614468
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
(E)-3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 49033078

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide?
The IUPAC name of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide (CID 60590938) is N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide.
What is the SMILES notation for N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide?
The canonical SMILES for N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide is CCCCC(=O)NCCCc1nc(C(C)C)no1.
What is the InChIKey of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide?
The InChIKey is ILCWAIKBPPKQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-7-11(17)14-9-6-8-12-15-13(10(2)3)16-18-12/h10H,4-9H2,1-3H3,(H,14,17).
What are the key properties of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide?
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide has a molecular weight of 253.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide is sourced from PubChem (CID 60590938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).