(5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one

C19H20N2O2 — CID 5467981

IUPAC(5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one
SMILESCc1cc(NCC2CC/C(=C\C=C\c3ccccc3)C2=O)no1
InChIInChI=1S/C19H20N2O2/c1-14-12-18(21-23-14)20-13-17-11-10-16(19(17)22)9-5-8-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13H2,1H3,(H,20,21)/b8-5+,16-9+
InChIKeyAUBHZACVUVUIEZ-ZCPHBQKFSA-N
MW308.38 g/mol
LogP4.01
Rot. Bonds5

About (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one

(5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one (PubChem CID 5467981) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one
PubChem CID5467981
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one
SMILESCc1cc(NCC2CC/C(=C\C=C\c3ccccc3)C2=O)no1
InChIInChI=1S/C19H20N2O2/c1-14-12-18(21-23-14)20-13-17-11-10-16(19(17)22)9-5-8-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13H2,1H3,(H,20,21)/b8-5+,16-9+
InChIKeyAUBHZACVUVUIEZ-ZCPHBQKFSA-N
XLogP4.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.01
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 (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one?
The IUPAC name of (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one (CID 5467981) is (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one.
What is the SMILES notation for (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one?
The canonical SMILES for (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one is Cc1cc(NCC2CC/C(=C\C=C\c3ccccc3)C2=O)no1.
What is the InChIKey of (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one?
The InChIKey is AUBHZACVUVUIEZ-ZCPHBQKFSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-12-18(21-23-14)20-13-17-11-10-16(19(17)22)9-5-8-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13H2,1H3,(H,20,21)/b8-5+,16-9+.
What are the key properties of (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one?
(5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one has a molecular weight of 308.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one is sourced from PubChem (CID 5467981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).