5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole

C9H7NO — CID 175959932

IUPAC5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole
SMILES[2H]c1cnc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])o1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H/i1D,2D,3D,4D,5D,7D
InChIKeyRQCBPOPQTLHDFC-UMCLXPAOSA-N
MW151.20 g/mol
LogP2.34
Rot. Bonds1

About 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole

5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole (PubChem CID 175959932) has the molecular formula C9H7NO and a molecular weight of 151.20 g/mol. Its IUPAC name is 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole
PubChem CID175959932
Molecular FormulaC9H7NO
Molecular Weight151.20 g/mol
Exact Mass151.09
IUPAC Name5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole
SMILES[2H]c1cnc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])o1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H/i1D,2D,3D,4D,5D,7D
InChIKeyRQCBPOPQTLHDFC-UMCLXPAOSA-N
XLogP2.34
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dideuteriophenyl)-1,3-oxazole
CID 122401309
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 87305393
3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 140711713
5-deuterio-2-methylsulfanyl-1,3-oxazole
CID 10582774
2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 59070802
4-(2,3,4,5,6-pentadeuteriophenyl)triazine
CID 175811041
1,2,3,4,5-pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)benzene;2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)aniline
CID 88961806
2-[2-(2,3,4,5,6-pentadeuteriophenyl)-5-(trideuteriomethyl)-1,3-oxazol-4-yl]ethanol
CID 171571769
2-phenyl-1,3-oxazole;zinc
CID 175242530
3,5-bis(2,3,4,5,6-pentadeuteriophenyl)aniline
CID 171402884
1,2,3,4,5-pentadeuterio-6-(3,5-dibromo-2,4,6-trideuteriophenyl)benzene
CID 170663253
2-(4-bromo-2,3,5,6-tetradeuteriophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 170926644

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole?
The IUPAC name of 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole (CID 175959932) is 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole.
What is the SMILES notation for 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole?
The canonical SMILES for 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole is [2H]c1cnc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])o1.
What is the InChIKey of 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole?
The InChIKey is RQCBPOPQTLHDFC-UMCLXPAOSA-N. The full InChI is InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H/i1D,2D,3D,4D,5D,7D.
What are the key properties of 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole?
5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole has a molecular weight of 151.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole is sourced from PubChem (CID 175959932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).