(E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one

C20H18N2O2 — CID 5310855

IUPAC(E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one
SMILESCC(=O)/C=C(\C)Nc1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H18N2O2/c1-14(12-15(2)23)22-18-10-8-16(9-11-18)19-13-21-20(24-19)17-6-4-3-5-7-17/h3-13,22H,1-2H3/b14-12+
InChIKeySZWPHWKWYXYCHT-WYMLVPIESA-N
MW318.38 g/mol
LogP4.91
Rot. Bonds5

About (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one

(E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one (PubChem CID 5310855) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one
PubChem CID5310855
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one
SMILESCC(=O)/C=C(\C)Nc1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H18N2O2/c1-14(12-15(2)23)22-18-10-8-16(9-11-18)19-13-21-20(24-19)17-6-4-3-5-7-17/h3-13,22H,1-2H3/b14-12+
InChIKeySZWPHWKWYXYCHT-WYMLVPIESA-N
XLogP4.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one?
The IUPAC name of (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one (CID 5310855) is (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one.
What is the SMILES notation for (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one?
The canonical SMILES for (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one is CC(=O)/C=C(\C)Nc1ccc(-c2cnc(-c3ccccc3)o2)cc1.
What is the InChIKey of (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one?
The InChIKey is SZWPHWKWYXYCHT-WYMLVPIESA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14(12-15(2)23)22-18-10-8-16(9-11-18)19-13-21-20(24-19)17-6-4-3-5-7-17/h3-13,22H,1-2H3/b14-12+.
What are the key properties of (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one?
(E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one has a molecular weight of 318.38 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(2-phenyl-1,3-oxazol-5-yl)anilino]pent-3-en-2-one is sourced from PubChem (CID 5310855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).