N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine

C11H19N3O2 — CID 115716913

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
SMILESCCC(NCc1nc(C)no1)C1CCOC1
InChIInChI=1S/C11H19N3O2/c1-3-10(9-4-5-15-7-9)12-6-11-13-8(2)14-16-11/h9-10,12H,3-7H2,1-2H3
InChIKeyQCQSODQWOCCGRP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.28
Rot. Bonds5

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine (PubChem CID 115716913) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
PubChem CID115716913
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
SMILESCCC(NCc1nc(C)no1)C1CCOC1
InChIInChI=1S/C11H19N3O2/c1-3-10(9-4-5-15-7-9)12-6-11-13-8(2)14-16-11/h9-10,12H,3-7H2,1-2H3
InChIKeyQCQSODQWOCCGRP-UHFFFAOYSA-N
XLogP1.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113347464
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
(1S)-1-[(3S)-oxolan-3-yl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 99855837
1-(dimethylamino)-3-[1-(oxolan-3-yl)propylamino]propan-2-ol
CID 115718079
5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine
CID 61015246
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 104696520
3-[[1-(oxolan-3-yl)propylamino]methyl]pentan-1-ol
CID 115727563
N-(3-ethoxypropyl)-1-(oxolan-3-yl)propan-1-amine
CID 115704270
6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine (CID 115716913) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine is CCC(NCc1nc(C)no1)C1CCOC1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine?
The InChIKey is QCQSODQWOCCGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-10(9-4-5-15-7-9)12-6-11-13-8(2)14-16-11/h9-10,12H,3-7H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 115716913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).