[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C8H12N4O3 — CID 25219213

IUPAC[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNCc1noc(C(=O)N2CC[C@H](O)C2)n1
InChIInChI=1S/C8H12N4O3/c9-3-6-10-7(15-11-6)8(14)12-2-1-5(13)4-12/h5,13H,1-4,9H2/t5-/m0/s1
InChIKeyWYRDQLSPXCATMA-YFKPBYRVSA-N
MW212.21 g/mol
LogP-1.26
Rot. Bonds2

About [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 25219213) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID25219213
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNCc1noc(C(=O)N2CC[C@H](O)C2)n1
InChIInChI=1S/C8H12N4O3/c9-3-6-10-7(15-11-6)8(14)12-2-1-5(13)4-12/h5,13H,1-4,9H2/t5-/m0/s1
InChIKeyWYRDQLSPXCATMA-YFKPBYRVSA-N
XLogP-1.26
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 58146821
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 39337849
(3,6-dichloro-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941925
(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103723510
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335266
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
[3-[(1-methylindol-7-yl)methyl]-1,2,4-oxadiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 136570276
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877627

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 25219213) is [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is NCc1noc(C(=O)N2CC[C@H](O)C2)n1.
What is the InChIKey of [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WYRDQLSPXCATMA-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-3-6-10-7(15-11-6)8(14)12-2-1-5(13)4-12/h5,13H,1-4,9H2/t5-/m0/s1.
What are the key properties of [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 212.21 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 25219213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).