(4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one

C15H18N2O3 — CID 70461164

IUPAC(4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one
SMILESCCN(/C=C1\C(=O)ON=C1c1ccccc1OC)CC
InChIInChI=1S/C15H18N2O3/c1-4-17(5-2)10-12-14(16-20-15(12)18)11-8-6-7-9-13(11)19-3/h6-10H,4-5H2,1-3H3/b12-10-
InChIKeyPKEGGTUJGXQSEN-BENRWUELSA-N
MW274.32 g/mol
LogP2.18
Rot. Bonds5

About (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one

(4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one (PubChem CID 70461164) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one
PubChem CID70461164
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one
SMILESCCN(/C=C1\C(=O)ON=C1c1ccccc1OC)CC
InChIInChI=1S/C15H18N2O3/c1-4-17(5-2)10-12-14(16-20-15(12)18)11-8-6-7-9-13(11)19-3/h6-10H,4-5H2,1-3H3/b12-10-
InChIKeyPKEGGTUJGXQSEN-BENRWUELSA-N
XLogP2.18
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

4-(diethylaminomethylidene)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-one
CID 70460908
4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one
CID 671163
4-[(2-methoxyphenyl)methylidene]-3-(2-nitrophenyl)-1,2-oxazol-5-one
CID 3917810
3-(5-chloro-2-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 4998780
4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 3567474
3-(4-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 3736691
(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one
CID 88977221
(4Z)-3-(3,4-dimethoxyphenyl)-4-[(4-ethoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 1280996
1,2-dimethoxybenzene;propanal
CID 174258099
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
1-ethyl-5-(2-methoxyphenyl)pyrazole-3,4-diamine
CID 23298690
4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one (CID 70461164) is (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one is CCN(/C=C1\C(=O)ON=C1c1ccccc1OC)CC.
What is the InChIKey of (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one?
The InChIKey is PKEGGTUJGXQSEN-BENRWUELSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-17(5-2)10-12-14(16-20-15(12)18)11-8-6-7-9-13(11)19-3/h6-10H,4-5H2,1-3H3/b12-10-.
What are the key properties of (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one?
(4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one has a molecular weight of 274.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one is sourced from PubChem (CID 70461164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).