N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide

C18H18FN3O2 — CID 156511242

IUPACN-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide
SMILESC=C(/C=C\C=C(/C)c1cnc(Nc2ccccc2F)o1)NC(C)=O
InChIInChI=1S/C18H18FN3O2/c1-12(7-6-8-13(2)21-14(3)23)17-11-20-18(24-17)22-16-10-5-4-9-15(16)19/h4-11H,2H2,1,3H3,(H,20,22)(H,21,23)/b8-6-,12-7+
InChIKeyJXFGJSSTBKGPSW-LQNKLOEDSA-N
MW327.36 g/mol
LogP4.17
Rot. Bonds6

About N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide

N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide (PubChem CID 156511242) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide
PubChem CID156511242
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide
SMILESC=C(/C=C\C=C(/C)c1cnc(Nc2ccccc2F)o1)NC(C)=O
InChIInChI=1S/C18H18FN3O2/c1-12(7-6-8-13(2)21-14(3)23)17-11-20-18(24-17)22-16-10-5-4-9-15(16)19/h4-11H,2H2,1,3H3,(H,20,22)(H,21,23)/b8-6-,12-7+
InChIKeyJXFGJSSTBKGPSW-LQNKLOEDSA-N
XLogP4.17
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide?
The IUPAC name of N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide (CID 156511242) is N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide.
What is the SMILES notation for N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide?
The canonical SMILES for N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide is C=C(/C=C\C=C(/C)c1cnc(Nc2ccccc2F)o1)NC(C)=O.
What is the InChIKey of N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide?
The InChIKey is JXFGJSSTBKGPSW-LQNKLOEDSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12(7-6-8-13(2)21-14(3)23)17-11-20-18(24-17)22-16-10-5-4-9-15(16)19/h4-11H,2H2,1,3H3,(H,20,22)(H,21,23)/b8-6-,12-7+.
What are the key properties of N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide?
N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide has a molecular weight of 327.36 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-6-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]hepta-1,3,5-trien-2-yl]acetamide is sourced from PubChem (CID 156511242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).