2-(2,6-dideuteriophenyl)-1,3-oxazole

C9H7NO — CID 122401309

IUPAC2-(2,6-dideuteriophenyl)-1,3-oxazole
SMILES[2H]c1cccc([2H])c1-c1ncco1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H/i4D,5D
InChIKeyRQCBPOPQTLHDFC-KFRNQKGQSA-N
MW147.17 g/mol
LogP2.34
Rot. Bonds1

About 2-(2,6-dideuteriophenyl)-1,3-oxazole

2-(2,6-dideuteriophenyl)-1,3-oxazole (PubChem CID 122401309) has the molecular formula C9H7NO and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(2,6-dideuteriophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-dideuteriophenyl)-1,3-oxazole
PubChem CID122401309
Molecular FormulaC9H7NO
Molecular Weight147.17 g/mol
Exact Mass147.07
IUPAC Name2-(2,6-dideuteriophenyl)-1,3-oxazole
SMILES[2H]c1cccc([2H])c1-c1ncco1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H/i4D,5D
InChIKeyRQCBPOPQTLHDFC-KFRNQKGQSA-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 ≤ 500147.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1,3-oxazole;zinc
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CID 173358954
CID 173358954
benzaldehyde;2-phenyl-1,3-oxazole
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5-deuterio-2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-oxazole
CID 175959932
2-(4-pyridin-2-ylphenyl)-1,3-oxazole
CID 142277060
2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole
CID 173298635
2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole
CID 71374228
2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole
CID 89273799
3-amino-5-(1,3-oxazol-2-yl)phenol
CID 118008600
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
3-(1,3-oxazol-2-yl)benzenesulfinic acid
CID 68532159
2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde
CID 54315674

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dideuteriophenyl)-1,3-oxazole?
The IUPAC name of 2-(2,6-dideuteriophenyl)-1,3-oxazole (CID 122401309) is 2-(2,6-dideuteriophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(2,6-dideuteriophenyl)-1,3-oxazole?
The canonical SMILES for 2-(2,6-dideuteriophenyl)-1,3-oxazole is [2H]c1cccc([2H])c1-c1ncco1.
What is the InChIKey of 2-(2,6-dideuteriophenyl)-1,3-oxazole?
The InChIKey is RQCBPOPQTLHDFC-KFRNQKGQSA-N. The full InChI is InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H/i4D,5D.
What are the key properties of 2-(2,6-dideuteriophenyl)-1,3-oxazole?
2-(2,6-dideuteriophenyl)-1,3-oxazole has a molecular weight of 147.17 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 2-(2,6-dideuteriophenyl)-1,3-oxazole is sourced from PubChem (CID 122401309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).