1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine

C9H17N5O — CID 116513829

IUPAC1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\Cc1cc(C)on1)NN
InChIInChI=1S/C9H17N5O/c1-3-4-11-9(13-10)12-6-8-5-7(2)15-14-8/h5H,3-4,6,10H2,1-2H3,(H2,11,12,13)
InChIKeyBKBWYSMKUORCOX-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.30
Rot. Bonds4

About 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine

1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine (PubChem CID 116513829) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine.

Molecular Properties

Compound Name1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine
PubChem CID116513829
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\Cc1cc(C)on1)NN
InChIInChI=1S/C9H17N5O/c1-3-4-11-9(13-10)12-6-8-5-7(2)15-14-8/h5H,3-4,6,10H2,1-2H3,(H2,11,12,13)
InChIKeyBKBWYSMKUORCOX-UHFFFAOYSA-N
XLogP0.30
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylguanidine
CID 116513831
1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine
CID 116516090
1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine
CID 116511027
1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
CID 104886304
1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
CID 114958064
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-propylpropanamide
CID 60695703
N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide
CID 63176850
N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide
CID 63176793
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(2-phenoxyethyl)-3-prop-2-enylguanidine;hydroiodide
CID 56801547
1-[2,2-dimethyl-3-(oxan-4-yl)propyl]-3-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]guanidine
CID 75496470
1-[(2R)-2-(3,4-difluorophenyl)propyl]-3-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]guanidine
CID 97220760
1-amino-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 106412582

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine?
The IUPAC name of 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine (CID 116513829) is 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine.
What is the SMILES notation for 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine?
The canonical SMILES for 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine is CCCN/C(=N\Cc1cc(C)on1)NN.
What is the InChIKey of 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine?
The InChIKey is BKBWYSMKUORCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-3-4-11-9(13-10)12-6-8-5-7(2)15-14-8/h5H,3-4,6,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine?
1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine has a molecular weight of 211.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine is sourced from PubChem (CID 116513829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).