N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide

C17H17FN4O — CID 89011151

IUPACN'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide
SMILESC=C(/C=C\N=C(/C)N)C1=C(c2ccc(F)cc2)NC2OC=CN12
InChIInChI=1S/C17H17FN4O/c1-11(7-8-20-12(2)19)16-15(13-3-5-14(18)6-4-13)21-17-22(16)9-10-23-17/h3-10,17,21H,1H2,2H3,(H2,19,20)/b8-7-
InChIKeyUZJZBJVIGSTZTA-FPLPWBNLSA-N
MW312.35 g/mol
LogP2.63
Rot. Bonds4

About N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide

N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide (PubChem CID 89011151) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide
PubChem CID89011151
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide
SMILESC=C(/C=C\N=C(/C)N)C1=C(c2ccc(F)cc2)NC2OC=CN12
InChIInChI=1S/C17H17FN4O/c1-11(7-8-20-12(2)19)16-15(13-3-5-14(18)6-4-13)21-17-22(16)9-10-23-17/h3-10,17,21H,1H2,2H3,(H2,19,20)/b8-7-
InChIKeyUZJZBJVIGSTZTA-FPLPWBNLSA-N
XLogP2.63
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.63
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide (CID 89011151) is N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide is C=C(/C=C\N=C(/C)N)C1=C(c2ccc(F)cc2)NC2OC=CN12.
What is the InChIKey of N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide?
The InChIKey is UZJZBJVIGSTZTA-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11(7-8-20-12(2)19)16-15(13-3-5-14(18)6-4-13)21-17-22(16)9-10-23-17/h3-10,17,21H,1H2,2H3,(H2,19,20)/b8-7-.
What are the key properties of N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide?
N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide has a molecular weight of 312.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-3-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]oxazol-5-yl]buta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 89011151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).