1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine

C19H19FN4O — CID 18693704

IUPAC1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine
SMILESC/N=C(\N)Nc1cc(C(C)c2ccc(-c3ccccc3)c(F)c2)on1
InChIInChI=1S/C19H19FN4O/c1-12(17-11-18(24-25-17)23-19(21)22-2)14-8-9-15(16(20)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H3,21,22,23,24)
InChIKeyPCIWLNVPMJKTJP-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.99
Rot. Bonds4

About 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine

1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine (PubChem CID 18693704) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine
PubChem CID18693704
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine
SMILESC/N=C(\N)Nc1cc(C(C)c2ccc(-c3ccccc3)c(F)c2)on1
InChIInChI=1S/C19H19FN4O/c1-12(17-11-18(24-25-17)23-19(21)22-2)14-8-9-15(16(20)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H3,21,22,23,24)
InChIKeyPCIWLNVPMJKTJP-UHFFFAOYSA-N
XLogP3.99
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.99
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'}

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Related Compounds

2-[[N'-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methyl]carbamimidoyl]amino]butanedioic acid
CID 18693794
2-[[amino-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]amino]methylidene]amino]acetic acid
CID 18693459
2-[[N'-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methyl]carbamimidoyl]-methylamino]acetic acid
CID 18693838
N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 18693765
N-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-1,1-di(piperidin-1-yl)methanimine
CID 18693912
N'-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methyl]-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 18693667
2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-4-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-1,1-dimethylguanidine
CID 18693359
1-ethyl-3-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methylguanidine
CID 142039316
1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
CID 18693469
2-[3-[[[amino(dimethylamino)methylidene]amino]methyl]-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-4-yl]acetic acid
CID 18693909
N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2,6-dimethylmorpholine-4-carboximidamide
CID 87954185
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine?
The IUPAC name of 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine (CID 18693704) is 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine.
What is the SMILES notation for 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine?
The canonical SMILES for 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine is C/N=C(\N)Nc1cc(C(C)c2ccc(-c3ccccc3)c(F)c2)on1.
What is the InChIKey of 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine?
The InChIKey is PCIWLNVPMJKTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12(17-11-18(24-25-17)23-19(21)22-2)14-8-9-15(16(20)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H3,21,22,23,24).
What are the key properties of 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine?
1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine has a molecular weight of 338.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]-2-methylguanidine is sourced from PubChem (CID 18693704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).