6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole

C17H11NO — CID 175983343

IUPAC6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole
SMILES[2H]c1ccc2nc(-c3ccc4ccccc4c3)oc2c1
InChIInChI=1S/C17H11NO/c1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17/h1-11H/i4D
InChIKeyXTFVRSDPQJOAQJ-QYKNYGDISA-N
MW246.29 g/mol
LogP4.65
Rot. Bonds1

About 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole

6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole (PubChem CID 175983343) has the molecular formula C17H11NO and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole
PubChem CID175983343
Molecular FormulaC17H11NO
Molecular Weight246.29 g/mol
Exact Mass246.09
IUPAC Name6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole
SMILES[2H]c1ccc2nc(-c3ccc4ccccc4c3)oc2c1
InChIInChI=1S/C17H11NO/c1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17/h1-11H/i4D
InChIKeyXTFVRSDPQJOAQJ-QYKNYGDISA-N
XLogP4.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
CID 170267058
2-[3-(1,3-benzoxazol-2-yl)-5-[4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176740351
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 171056538
2-[4-[6-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 170046632
2-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzoxazole
CID 58963337
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 147685695
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-benzoxazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,3-benzoxazole
CID 159053845

Frequently Asked Questions

What is the IUPAC name of 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole?
The IUPAC name of 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole (CID 175983343) is 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole is [2H]c1ccc2nc(-c3ccc4ccccc4c3)oc2c1.
What is the InChIKey of 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole?
The InChIKey is XTFVRSDPQJOAQJ-QYKNYGDISA-N. The full InChI is InChI=1S/C17H11NO/c1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17/h1-11H/i4D.
What are the key properties of 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole?
6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole has a molecular weight of 246.29 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 175983343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).