2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole

C17H10INO2 — CID 145224896

IUPAC2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
SMILESIc1ccc2ccc(Oc3nc4ccccc4o3)cc2c1
InChIInChI=1S/C17H10INO2/c18-13-7-5-11-6-8-14(10-12(11)9-13)20-17-19-15-3-1-2-4-16(15)21-17/h1-10H
InChIKeyBDBKANIAONIXOJ-UHFFFAOYSA-N
MW387.18 g/mol
LogP5.38
Rot. Bonds2

About 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole

2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole (PubChem CID 145224896) has the molecular formula C17H10INO2 and a molecular weight of 387.18 g/mol. Its IUPAC name is 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
PubChem CID145224896
Molecular FormulaC17H10INO2
Molecular Weight387.18 g/mol
Exact Mass386.98
IUPAC Name2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole
SMILESIc1ccc2ccc(Oc3nc4ccccc4o3)cc2c1
InChIInChI=1S/C17H10INO2/c18-13-7-5-11-6-8-14(10-12(11)9-13)20-17-19-15-3-1-2-4-16(15)21-17/h1-10H
InChIKeyBDBKANIAONIXOJ-UHFFFAOYSA-N
XLogP5.38
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.18
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-[2-(trifluoromethyl)quinolin-7-yl]oxy-1,3-benzoxazole
CID 47079119
2-(1,3-benzoxazol-2-yloxy)-5-iodobenzoic acid
CID 107732420
[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
CID 79869656
3-(1,3-benzoxazol-2-yloxy)-5-bromoaniline
CID 103589190
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 75526069
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477
2-(1,3-benzoxazol-2-yloxy)-4-methoxyaniline
CID 102703092
5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
CID 63850200
4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
CID 154645805
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
CID 68999250

Frequently Asked Questions

What is the IUPAC name of 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole?
The IUPAC name of 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole (CID 145224896) is 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole.
What is the SMILES notation for 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole?
The canonical SMILES for 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole is Ic1ccc2ccc(Oc3nc4ccccc4o3)cc2c1.
What is the InChIKey of 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole?
The InChIKey is BDBKANIAONIXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10INO2/c18-13-7-5-11-6-8-14(10-12(11)9-13)20-17-19-15-3-1-2-4-16(15)21-17/h1-10H.
What are the key properties of 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole?
2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole has a molecular weight of 387.18 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-iodonaphthalen-2-yl)oxy-1,3-benzoxazole is sourced from PubChem (CID 145224896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).