1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine

C11H19FN4O — CID 75433015

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine
SMILESC/N=C(\NCCCF)NCc1c(C)noc1C
InChIInChI=1S/C11H19FN4O/c1-8-10(9(2)17-16-8)7-15-11(13-3)14-6-4-5-12/h4-7H2,1-3H3,(H2,13,14,15)
InChIKeyIQMJQCKCLFLRIX-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.32
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine (PubChem CID 75433015) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine
PubChem CID75433015
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine
SMILESC/N=C(\NCCCF)NCc1c(C)noc1C
InChIInChI=1S/C11H19FN4O/c1-8-10(9(2)17-16-8)7-15-11(13-3)14-6-4-5-12/h4-7H2,1-3H3,(H2,13,14,15)
InChIKeyIQMJQCKCLFLRIX-UHFFFAOYSA-N
XLogP1.32
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine (CID 75433015) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine is C/N=C(\NCCCF)NCc1c(C)noc1C.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine?
The InChIKey is IQMJQCKCLFLRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-8-10(9(2)17-16-8)7-15-11(13-3)14-6-4-5-12/h4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine has a molecular weight of 242.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(3-fluoropropyl)-2-methylguanidine is sourced from PubChem (CID 75433015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).