2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine

C16H25N5O2 — CID 129436989

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine
SMILESC[C@@H]1C[C@@H]1N/C(=N/Cc1nc(C2CC2)no1)NC[C@H]1CCCO1
InChIInChI=1S/C16H25N5O2/c1-10-7-13(10)19-16(17-8-12-3-2-6-22-12)18-9-14-20-15(21-23-14)11-4-5-11/h10-13H,2-9H2,1H3,(H2,17,18,19)/t10-,12-,13+/m1/s1
InChIKeyVCTHBXWZHSNWEW-RTXFEEFZSA-N
MW319.41 g/mol
LogP1.57
Rot. Bonds6

About 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine (PubChem CID 129436989) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine
PubChem CID129436989
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine
SMILESC[C@@H]1C[C@@H]1N/C(=N/Cc1nc(C2CC2)no1)NC[C@H]1CCCO1
InChIInChI=1S/C16H25N5O2/c1-10-7-13(10)19-16(17-8-12-3-2-6-22-12)18-9-14-20-15(21-23-14)11-4-5-11/h10-13H,2-9H2,1H3,(H2,17,18,19)/t10-,12-,13+/m1/s1
InChIKeyVCTHBXWZHSNWEW-RTXFEEFZSA-N
XLogP1.57
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine with MolForge

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138265
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111593792
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025513
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110918021
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 90649090
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111772237
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111139959
1-ethyl-2-[(2-methylphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137534
2-methyl-1-(2-methylcyclopropyl)-3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111962082
2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 110953498
1-tert-butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111493817
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111020209

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine (CID 129436989) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine is C[C@@H]1C[C@@H]1N/C(=N/Cc1nc(C2CC2)no1)NC[C@H]1CCCO1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine?
The InChIKey is VCTHBXWZHSNWEW-RTXFEEFZSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-10-7-13(10)19-16(17-8-12-3-2-6-22-12)18-9-14-20-15(21-23-14)11-4-5-11/h10-13H,2-9H2,1H3,(H2,17,18,19)/t10-,12-,13+/m1/s1.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine has a molecular weight of 319.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(1S,2R)-2-methylcyclopropyl]-3-[[(2R)-oxolan-2-yl]methyl]guanidine is sourced from PubChem (CID 129436989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).