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

C12H22N4O — CID 66214893

IUPACN-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1nc(C(C)C)no1)C1CNC1
InChIInChI=1S/C12H22N4O/c1-4-5-16(10-6-13-7-10)8-11-14-12(9(2)3)15-17-11/h9-10,13H,4-8H2,1-3H3
InChIKeyBJAOQJLJKLXYMQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.38
Rot. Bonds6

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

N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine (PubChem CID 66214893) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine
PubChem CID66214893
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1nc(C(C)C)no1)C1CNC1
InChIInChI=1S/C12H22N4O/c1-4-5-16(10-6-13-7-10)8-11-14-12(9(2)3)15-17-11/h9-10,13H,4-8H2,1-3H3
InChIKeyBJAOQJLJKLXYMQ-UHFFFAOYSA-N
XLogP1.38
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119531240
N-propyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63304349
N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine
CID 127377767
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66215112
4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79117316
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
CID 91927829
N-(3-methylbutyl)-N-propylazetidin-3-amine
CID 66182647
5-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 66202752
N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 66184076
N-(2-methylbutyl)-N-propylazetidin-3-amine
CID 66183920
2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 56812880
N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66215907

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine (CID 66214893) is N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine is CCCN(Cc1nc(C(C)C)no1)C1CNC1.
What is the InChIKey of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine?
The InChIKey is BJAOQJLJKLXYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-16(10-6-13-7-10)8-11-14-12(9(2)3)15-17-11/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine?
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66214893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).