N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine

C11H21N3O — CID 150039378

IUPACN-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine
SMILESCCCCN(CCCC)Cc1ncno1
InChIInChI=1S/C11H21N3O/c1-3-5-7-14(8-6-4-2)9-11-12-10-13-15-11/h10H,3-9H2,1-2H3
InChIKeyDIYPKQKSCGTZNP-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.47
Rot. Bonds8

About N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine

N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine (PubChem CID 150039378) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine
PubChem CID150039378
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine
SMILESCCCCN(CCCC)Cc1ncno1
InChIInChI=1S/C11H21N3O/c1-3-5-7-14(8-6-4-2)9-11-12-10-13-15-11/h10H,3-9H2,1-2H3
InChIKeyDIYPKQKSCGTZNP-UHFFFAOYSA-N
XLogP2.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine
CID 154507388
2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid
CID 107425110
5-ethyl-1,2,4-oxadiazole
CID 19928681
5-(4-hexoxybutyl)-1,2,4-oxadiazole
CID 91141430
5-(3-propoxypropyl)-1,2,4-oxadiazole
CID 91468959
2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60689589
methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate
CID 106401863
N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82238026
5-[(dibutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397880
triethyl-[2-[2-(1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-oxoethyl]azanium bromide
CID 167669885
2-[butyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 60968327
4-[N-(1,2,4-oxadiazol-5-ylmethyl)anilino]butanoic acid
CID 60838258

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine?
The IUPAC name of N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine (CID 150039378) is N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine is CCCCN(CCCC)Cc1ncno1.
What is the InChIKey of N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine?
The InChIKey is DIYPKQKSCGTZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-5-7-14(8-6-4-2)9-11-12-10-13-15-11/h10H,3-9H2,1-2H3.
What are the key properties of N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine?
N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 150039378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).