1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea

C19H18FN3O3 — CID 57019303

IUPAC1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC=Cc1cccc(C2=CC(c3ccc(F)cc3)ON2)c1
InChIInChI=1S/C19H18FN3O3/c20-16-8-6-14(7-9-16)18-12-17(22-26-18)15-5-1-3-13(11-15)4-2-10-23(25)19(21)24/h1-9,11-12,18,22,25H,10H2,(H2,21,24)
InChIKeyNWYCIKFHBKZDFL-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.23
Rot. Bonds5

About 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea

1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea (PubChem CID 57019303) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea
PubChem CID57019303
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC=Cc1cccc(C2=CC(c3ccc(F)cc3)ON2)c1
InChIInChI=1S/C19H18FN3O3/c20-16-8-6-14(7-9-16)18-12-17(22-26-18)15-5-1-3-13(11-15)4-2-10-23(25)19(21)24/h1-9,11-12,18,22,25H,10H2,(H2,21,24)
InChIKeyNWYCIKFHBKZDFL-UHFFFAOYSA-N
XLogP3.23
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea?
The IUPAC name of 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea (CID 57019303) is 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea.
What is the SMILES notation for 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea?
The canonical SMILES for 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea is NC(=O)N(O)CC=Cc1cccc(C2=CC(c3ccc(F)cc3)ON2)c1.
What is the InChIKey of 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea?
The InChIKey is NWYCIKFHBKZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-16-8-6-14(7-9-16)18-12-17(22-26-18)15-5-1-3-13(11-15)4-2-10-23(25)19(21)24/h1-9,11-12,18,22,25H,10H2,(H2,21,24).
What are the key properties of 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea?
1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea has a molecular weight of 355.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-enyl]-1-hydroxyurea is sourced from PubChem (CID 57019303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).