1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine

C10H18N4O — CID 65250262

IUPAC1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
SMILESCC(C)(C)c1noc(CN2CC(N)C2)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)9-12-8(15-13-9)6-14-4-7(11)5-14/h7H,4-6,11H2,1-3H3
InChIKeyMZTBZULZWOEVBB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.51
Rot. Bonds2

About 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine (PubChem CID 65250262) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
PubChem CID65250262
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
SMILESCC(C)(C)c1noc(CN2CC(N)C2)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)9-12-8(15-13-9)6-14-4-7(11)5-14/h7H,4-6,11H2,1-3H3
InChIKeyMZTBZULZWOEVBB-UHFFFAOYSA-N
XLogP0.51
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 102977355
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576788
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 114395112
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684185
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 114538081
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
CID 79608202
1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628218
(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine
CID 100841460
(3S,4R)-4-benzyl-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 136586170
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926686
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine (CID 65250262) is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine is CC(C)(C)c1noc(CN2CC(N)C2)n1.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine?
The InChIKey is MZTBZULZWOEVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,3)9-12-8(15-13-9)6-14-4-7(11)5-14/h7H,4-6,11H2,1-3H3.
What are the key properties of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine?
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine has a molecular weight of 210.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 65250262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).