(3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide

C19H25N5O2 — CID 154660997

IUPAC(3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@@H](c2nc(-c3ccc(/C(C)=C/CCOC)cc3)no2)C1
InChIInChI=1S/C19H25N5O2/c1-13(4-3-11-25-2)14-5-7-15(8-6-14)17-22-18(26-23-17)16-9-10-24(12-16)19(20)21/h4-8,16H,3,9-12H2,1-2H3,(H3,20,21)/b13-4+/t16-/m1/s1
InChIKeyBMEYDBLZDMAQOU-JILDMTJUSA-N
MW355.44 g/mol
LogP2.86
Rot. Bonds6

About (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide

(3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide (PubChem CID 154660997) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
PubChem CID154660997
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@@H](c2nc(-c3ccc(/C(C)=C/CCOC)cc3)no2)C1
InChIInChI=1S/C19H25N5O2/c1-13(4-3-11-25-2)14-5-7-15(8-6-14)17-22-18(26-23-17)16-9-10-24(12-16)19(20)21/h4-8,16H,3,9-12H2,1-2H3,(H3,20,21)/b13-4+/t16-/m1/s1
InChIKeyBMEYDBLZDMAQOU-JILDMTJUSA-N
XLogP2.86
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[4-[(E)-but-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;1-(methoxymethyl)-4-(trifluoromethyl)benzene
CID 154660923
(3R)-3-[3-[4-[(Z)-C-methyl-N-pentoxycarbonimidoyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 155012808
3-[3-[4-(C-methyl-N-phenylmethoxycarbonimidoyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 155012856
(3R)-3-[3-[4-[(Z)-C-methyl-N-[(4-phenylphenyl)methoxy]carbonimidoyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 155013166
3-[3-[4-[C-methyl-N-(4-phenylbutoxy)carbonimidoyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 155012866
(3R)-3-[3-[4-[(E)-N-[(4-tert-butylphenyl)methoxy]-C-methylcarbonimidoyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 155013026
3-[3-[4-[N-[(4-tert-butylphenyl)methoxy]-C-methylcarbonimidoyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 155013027
(3R)-3-[3-[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 154661030
[3-[3-[4-[(E)-but-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanimine;1-fluoro-4-(methoxymethyl)benzene;methanamine
CID 154660874
3-[3-[6-(octylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 155012797
3-[3-[6-(3-tert-butylanilino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 155013108
(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 (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide?
The IUPAC name of (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide (CID 154660997) is (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide?
The canonical SMILES for (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CC[C@@H](c2nc(-c3ccc(/C(C)=C/CCOC)cc3)no2)C1.
What is the InChIKey of (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide?
The InChIKey is BMEYDBLZDMAQOU-JILDMTJUSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(4-3-11-25-2)14-5-7-15(8-6-14)17-22-18(26-23-17)16-9-10-24(12-16)19(20)21/h4-8,16H,3,9-12H2,1-2H3,(H3,20,21)/b13-4+/t16-/m1/s1.
What are the key properties of (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide?
(3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide has a molecular weight of 355.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[4-[(E)-5-methoxypent-2-en-2-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 154660997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).