3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)

C14H17NO3W — CID 59649933

IUPAC3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)
SMILES[CH2-]CC1([CH2-])CC(c2ccc(OC)c(OC)c2)=NO1.[W+2]
InChIInChI=1S/C14H17NO3.W/c1-5-14(2)9-11(15-18-14)10-6-7-12(16-3)13(8-10)17-4;/h6-8H,1-2,5,9H2,3-4H3;/q-2;+2
InChIKeyIUZHXGACHSKFJC-UHFFFAOYSA-N
MW431.13 g/mol
LogP2.62
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)

3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+) (PubChem CID 59649933) has the molecular formula C14H17NO3W and a molecular weight of 431.13 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+).

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)
PubChem CID59649933
Molecular FormulaC14H17NO3W
Molecular Weight431.13 g/mol
Exact Mass431.07
IUPAC Name3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)
SMILES[CH2-]CC1([CH2-])CC(c2ccc(OC)c(OC)c2)=NO1.[W+2]
InChIInChI=1S/C14H17NO3.W/c1-5-14(2)9-11(15-18-14)10-6-7-12(16-3)13(8-10)17-4;/h6-8H,1-2,5,9H2,3-4H3;/q-2;+2
InChIKeyIUZHXGACHSKFJC-UHFFFAOYSA-N
XLogP2.62
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.13
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-one
CID 58115383
3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate
CID 90844099
7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4870628
3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane
CID 123855223
3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one
CID 45118060
3-[4-methoxy-3-(sulfinoamino)phenyl]-5,5-dimethyl-4H-1,2-oxazole
CID 177113747
1-[5-acetyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-4H-1,2-oxazol-5-yl]propan-2-one
CID 59550966
3-(3-cyclopentyloxy-4-methoxyphenyl)-8-(2-piperidin-1-ylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11690765
2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-2-ylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
CID 4895396
2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
CID 11069311
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
CID 13268420
methyl (5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 10640392

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+) (CID 59649933) is 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+).
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+) is [CH2-]CC1([CH2-])CC(c2ccc(OC)c(OC)c2)=NO1.[W+2].
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)?
The InChIKey is IUZHXGACHSKFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3.W/c1-5-14(2)9-11(15-18-14)10-6-7-12(16-3)13(8-10)17-4;/h6-8H,1-2,5,9H2,3-4H3;/q-2;+2.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+)?
3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+) has a molecular weight of 431.13 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-ethyl-5-methanidyl-4H-1,2-oxazole;tungsten(2+) is sourced from PubChem (CID 59649933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).