1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine

C22H23FN4O2 — CID 18693911

IUPAC1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine
SMILESCC(=O)C/N=C(\N)Nc1cc(C(C)(C)c2ccc(-c3ccccc3F)cc2)no1
InChIInChI=1S/C22H23FN4O2/c1-14(28)13-25-21(24)26-20-12-19(27-29-20)22(2,3)16-10-8-15(9-11-16)17-6-4-5-7-18(17)23/h4-12H,13H2,1-3H3,(H3,24,25,26)
InChIKeySRPYNQBGOMPDST-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.12
Rot. Bonds6

About 1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine

1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine (PubChem CID 18693911) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine.

Molecular Properties

Compound Name1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine
PubChem CID18693911
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine
SMILESCC(=O)C/N=C(\N)Nc1cc(C(C)(C)c2ccc(-c3ccccc3F)cc2)no1
InChIInChI=1S/C22H23FN4O2/c1-14(28)13-25-21(24)26-20-12-19(27-29-20)22(2,3)16-10-8-15(9-11-16)17-6-4-5-7-18(17)23/h4-12H,13H2,1-3H3,(H3,24,25,26)
InChIKeySRPYNQBGOMPDST-UHFFFAOYSA-N
XLogP4.12
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine?
The IUPAC name of 1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine (CID 18693911) is 1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine.
What is the SMILES notation for 1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine?
The canonical SMILES for 1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine is CC(=O)C/N=C(\N)Nc1cc(C(C)(C)c2ccc(-c3ccccc3F)cc2)no1.
What is the InChIKey of 1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine?
The InChIKey is SRPYNQBGOMPDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14(28)13-25-21(24)26-20-12-19(27-29-20)22(2,3)16-10-8-15(9-11-16)17-6-4-5-7-18(17)23/h4-12H,13H2,1-3H3,(H3,24,25,26).
What are the key properties of 1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine?
1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine has a molecular weight of 394.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine is sourced from PubChem (CID 18693911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).