1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine

C8H15N5O — CID 116516090

IUPAC1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine
SMILESCCCN/C(=N\Cc1ccon1)NN
InChIInChI=1S/C8H15N5O/c1-2-4-10-8(12-9)11-6-7-3-5-14-13-7/h3,5H,2,4,6,9H2,1H3,(H2,10,11,12)
InChIKeyBVZOKMZUBKPKBR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.01
Rot. Bonds4

About 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine

1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine (PubChem CID 116516090) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine.

Molecular Properties

Compound Name1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine
PubChem CID116516090
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine
SMILESCCCN/C(=N\Cc1ccon1)NN
InChIInChI=1S/C8H15N5O/c1-2-4-10-8(12-9)11-6-7-3-5-14-13-7/h3,5H,2,4,6,9H2,1H3,(H2,10,11,12)
InChIKeyBVZOKMZUBKPKBR-UHFFFAOYSA-N
XLogP-0.01
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.01
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-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-pentylguanidine
CID 111964181
1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propylguanidine
CID 116513829
1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
CID 104886304
1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine
CID 116510992
1-amino-2-[(5-methylfuran-2-yl)methyl]-3-propylguanidine
CID 116511027
1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111964977
1-(3,3-diphenylpropyl)-3-ethyl-2-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111964544
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 111964275
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111965040
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
1-(2-methylpropyl)-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 79492896
1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
CID 114958064

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine?
The IUPAC name of 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine (CID 116516090) is 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine.
What is the SMILES notation for 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine?
The canonical SMILES for 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine is CCCN/C(=N\Cc1ccon1)NN.
What is the InChIKey of 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine?
The InChIKey is BVZOKMZUBKPKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-2-4-10-8(12-9)11-6-7-3-5-14-13-7/h3,5H,2,4,6,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine?
1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine has a molecular weight of 197.24 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine is sourced from PubChem (CID 116516090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).