(2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide

C8H13N5O2 — CID 118264688

IUPAC(2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@H](O)[C@H]1c1nc(C)no1
InChIInChI=1S/C8H13N5O2/c1-4-11-7(15-12-4)6-5(14)2-3-13(6)8(9)10/h5-6,14H,2-3H2,1H3,(H3,9,10)/t5-,6-/m0/s1
InChIKeyAQXZUVIQNDCVFE-WDSKDSINSA-N
MW211.22 g/mol
LogP-0.62
Rot. Bonds1

About (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide

(2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide (PubChem CID 118264688) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide
PubChem CID118264688
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name(2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@H](O)[C@H]1c1nc(C)no1
InChIInChI=1S/C8H13N5O2/c1-4-11-7(15-12-4)6-5(14)2-3-13(6)8(9)10/h5-6,14H,2-3H2,1H3,(H3,9,10)/t5-,6-/m0/s1
InChIKeyAQXZUVIQNDCVFE-WDSKDSINSA-N
XLogP-0.62
TPSA112.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-hydroxy-2-[3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 118734397
(2S,3S)-3-hydroxy-2-[3-[3-(trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 121266354
(3S)-3-hydroxy-2-[3-[3-(trifluoromethyl)-4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 155353168
(2S)-2-(3-heptadecyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide
CID 129286703
(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 94571895
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
(2R,6R)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
CID 146082113
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone
CID 158231096
(2S)-2-[3-(4-tetradecylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 122192897

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide (CID 118264688) is (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CC[C@H](O)[C@H]1c1nc(C)no1.
What is the InChIKey of (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide?
The InChIKey is AQXZUVIQNDCVFE-WDSKDSINSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-4-11-7(15-12-4)6-5(14)2-3-13(6)8(9)10/h5-6,14H,2-3H2,1H3,(H3,9,10)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide?
(2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide has a molecular weight of 211.22 g/mol, XLogP of -0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 118264688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).