4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one

C14H17N3O2 — CID 21179103

IUPAC4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCN(C)C(=C1N=C(c2ccccc2)OC1=O)N(C)C
InChIInChI=1S/C14H17N3O2/c1-16(2)13(17(3)4)11-14(18)19-12(15-11)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyYRNGDEZRNSNKPI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.28
Rot. Bonds3

About 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one

4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 21179103) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID21179103
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCN(C)C(=C1N=C(c2ccccc2)OC1=O)N(C)C
InChIInChI=1S/C14H17N3O2/c1-16(2)13(17(3)4)11-14(18)19-12(15-11)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyYRNGDEZRNSNKPI-UHFFFAOYSA-N
XLogP1.28
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-bromo-1-(dimethylamino)ethylidene]-2-phenyl-1,3-oxazol-5-one
CID 3734971
(4Z)-4-butan-2-ylidene-2-phenyl-1,3-oxazol-5-one
CID 13148826
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
4-[1-(4-nitrophenyl)ethylidene]-2-phenyl-1,3-oxazol-5-one
CID 569588
N'-[6-chloro-2-[(2Z)-2-(dimethylamino)-2-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)ethyl]pyridazin-2-ium-3-yl]-N,N-dimethylmethanimidamide
CID 10553229
2-(4-methoxyphenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
CID 6488949
(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
CID 42603547
2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
CID 6488951
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369550
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649
4-[1,3-benzoxazol-2-ylsulfanyl(phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3870877
(2S,3R)-3-[(2S,4E)-2-methyl-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-4-phenylbutyl]oxirane-2-carbaldehyde
CID 102599062

Frequently Asked Questions

What is the IUPAC name of 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 21179103) is 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one is CN(C)C(=C1N=C(c2ccccc2)OC1=O)N(C)C.
What is the InChIKey of 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is YRNGDEZRNSNKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16(2)13(17(3)4)11-14(18)19-12(15-11)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one?
4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 259.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(dimethylamino)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 21179103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).