[dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten

C14H18N2OW — CID 58281247

IUPAC[dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten
SMILESCN(C)C(=[W])c1ccc(C2=NOC(C)(C)C2)cc1
InChIInChI=1S/C14H18N2O.W/c1-14(2)9-13(15-17-14)12-7-5-11(6-8-12)10-16(3)4;/h5-8H,9H2,1-4H3;
InChIKeyXUMJFEKQAKEMJC-UHFFFAOYSA-N
MW414.15 g/mol
LogP2.18
Rot. Bonds3

About [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten

[dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten (PubChem CID 58281247) has the molecular formula C14H18N2OW and a molecular weight of 414.15 g/mol. Its IUPAC name is [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten.

Molecular Properties

Compound Name[dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten
PubChem CID58281247
Molecular FormulaC14H18N2OW
Molecular Weight414.15 g/mol
Exact Mass414.09
IUPAC Name[dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten
SMILESCN(C)C(=[W])c1ccc(C2=NOC(C)(C)C2)cc1
InChIInChI=1S/C14H18N2O.W/c1-14(2)9-13(15-17-14)12-7-5-11(6-8-12)10-16(3)4;/h5-8H,9H2,1-4H3;
InChIKeyXUMJFEKQAKEMJC-UHFFFAOYSA-N
XLogP2.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.15
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3,5,5-trimethyl-4H-1,2-oxazole
CID 143045754
3-[4-methoxy-3-(sulfinoamino)phenyl]-5,5-dimethyl-4H-1,2-oxazole
CID 177113747
4-[5-(aminomethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenol
CID 136765444
3-[4-[N-(2-methoxyethyl)-N-methylcarbamimidoyl]phenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 68865361
(5R)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815699
(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 93019883
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 42882800
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 68864607
5-methyl-3-(4-methylphenyl)-5-phenyl-4H-1,2-oxazole
CID 58473804
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2881249
(5S)-5-methyl-3-(4-propan-2-ylphenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 95658934

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten?
The IUPAC name of [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten (CID 58281247) is [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten.
What is the SMILES notation for [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten?
The canonical SMILES for [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten is CN(C)C(=[W])c1ccc(C2=NOC(C)(C)C2)cc1.
What is the InChIKey of [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten?
The InChIKey is XUMJFEKQAKEMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.W/c1-14(2)9-13(15-17-14)12-7-5-11(6-8-12)10-16(3)4;/h5-8H,9H2,1-4H3;.
What are the key properties of [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten?
[dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten has a molecular weight of 414.15 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-[4-(5,5-dimethyl-4H-1,2-oxazol-3-yl)phenyl]methylidene]tungsten is sourced from PubChem (CID 58281247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).