6-phenyl-1,3-benzoxazole

C13H9NO — CID 19026755

IUPAC6-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2ccc3ncoc3c2)cc1
InChIInChI=1S/C13H9NO/c1-2-4-10(5-3-1)11-6-7-12-13(8-11)15-9-14-12/h1-9H
InChIKeyNUNSAHHECDNWQY-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.49
Rot. Bonds1

About 6-phenyl-1,3-benzoxazole

6-phenyl-1,3-benzoxazole (PubChem CID 19026755) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-phenyl-1,3-benzoxazole
PubChem CID19026755
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name6-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2ccc3ncoc3c2)cc1
InChIInChI=1S/C13H9NO/c1-2-4-10(5-3-1)11-6-7-12-13(8-11)15-9-14-12/h1-9H
InChIKeyNUNSAHHECDNWQY-UHFFFAOYSA-N
XLogP3.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1H-pyrazol-4-yl)-1,3-benzoxazole
CID 67417079
6-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 117000868
CID 70416438
CID 70416438
CID 161250572
CID 161250572
1,3-benzoxazol-6-amine
CID 584120
6-[4-[2-[(3Z)-hexa-1,3,5-trien-2-yl]-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-1,3-benzoxazole
CID 153310061
6-[3-[2-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 174333593
6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole
CID 44545184
1,3-benzoxazole;naphthalene
CID 69020592
hydrazine;6-methyl-1,3-benzoxazole
CID 174445357
5-phenyl-1,3-benzoxazol-7-amine
CID 82230574
bis(1,3-benzoxazole);stilbene
CID 66914199

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,3-benzoxazole?
The IUPAC name of 6-phenyl-1,3-benzoxazole (CID 19026755) is 6-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-phenyl-1,3-benzoxazole is c1ccc(-c2ccc3ncoc3c2)cc1.
What is the InChIKey of 6-phenyl-1,3-benzoxazole?
The InChIKey is NUNSAHHECDNWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c1-2-4-10(5-3-1)11-6-7-12-13(8-11)15-9-14-12/h1-9H.
What are the key properties of 6-phenyl-1,3-benzoxazole?
6-phenyl-1,3-benzoxazole has a molecular weight of 195.22 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,3-benzoxazole is sourced from PubChem (CID 19026755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).