[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone

C11H16N4O2 — CID 99727776

IUPAC[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone
SMILESNCCc1noc(C2CN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C11H16N4O2/c12-4-3-9-13-10(17-14-9)8-5-15(6-8)11(16)7-1-2-7/h7-8H,1-6,12H2
InChIKeyIZVPAVKOYHDMOH-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.09
Rot. Bonds4

About [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone

[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone (PubChem CID 99727776) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone
PubChem CID99727776
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone
SMILESNCCc1noc(C2CN(C(=O)C3CC3)C2)n1
InChIInChI=1S/C11H16N4O2/c12-4-3-9-13-10(17-14-9)8-5-15(6-8)11(16)7-1-2-7/h7-8H,1-6,12H2
InChIKeyIZVPAVKOYHDMOH-UHFFFAOYSA-N
XLogP-0.09
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096534
4-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 117058529
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72899381
[2-[(3R)-3-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]spiro[3.3]heptan-6-yl]-[(3R)-3-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 177345071
cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 124737955
3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077211
4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 71801329
(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 97193337
5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 117058525

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone (CID 99727776) is [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone is NCCc1noc(C2CN(C(=O)C3CC3)C2)n1.
What is the InChIKey of [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone?
The InChIKey is IZVPAVKOYHDMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-4-3-9-13-10(17-14-9)8-5-15(6-8)11(16)7-1-2-7/h7-8H,1-6,12H2.
What are the key properties of [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone?
[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone has a molecular weight of 236.27 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 99727776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).