2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine

C15H17FN4O — CID 136678047

IUPAC2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O/c1-2-8-18-15(17)19-9-7-13-10-21-14(20-13)11-3-5-12(16)6-4-11/h2-6,10H,1,7-9H2,(H3,17,18,19)
InChIKeyVCOPXJVQLZRYFV-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.11
Rot. Bonds6

About 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine

2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine (PubChem CID 136678047) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine
PubChem CID136678047
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O/c1-2-8-18-15(17)19-9-7-13-10-21-14(20-13)11-3-5-12(16)6-4-11/h2-6,10H,1,7-9H2,(H3,17,18,19)
InChIKeyVCOPXJVQLZRYFV-UHFFFAOYSA-N
XLogP2.11
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-methyl-1-pent-4-enylguanidine
CID 109496610
1-(3,4-dimethoxyphenyl)-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 111097097
2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111097048
1-(2,5-dimethoxyphenyl)-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 111097100
1-(2,5-diethoxyphenyl)-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 111097125
1-cyclopropyl-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-methylguanidine;hydroiodide
CID 110030887
1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
CID 137156933
N-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376859
N-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154302
N-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111168361
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
N-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732923

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine (CID 136678047) is 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine?
The InChIKey is VCOPXJVQLZRYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-8-18-15(17)19-9-7-13-10-21-14(20-13)11-3-5-12(16)6-4-11/h2-6,10H,1,7-9H2,(H3,17,18,19).
What are the key properties of 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine?
2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine has a molecular weight of 288.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 136678047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).