2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole

C19H12ClNO — CID 166583056

IUPAC2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
SMILESClc1cccc(-c2cccc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C19H12ClNO/c20-16-8-4-6-14(12-16)13-5-3-7-15(11-13)19-21-17-9-1-2-10-18(17)22-19/h1-12H
InChIKeyNTWHCPXASRACPR-UHFFFAOYSA-N
MW305.76 g/mol
LogP5.82
Rot. Bonds2

About 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole

2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole (PubChem CID 166583056) has the molecular formula C19H12ClNO and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
PubChem CID166583056
Molecular FormulaC19H12ClNO
Molecular Weight305.76 g/mol
Exact Mass305.06
IUPAC Name2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
SMILESClc1cccc(-c2cccc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C19H12ClNO/c20-16-8-4-6-14(12-16)13-5-3-7-15(11-13)19-21-17-9-1-2-10-18(17)22-19/h1-12H
InChIKeyNTWHCPXASRACPR-UHFFFAOYSA-N
XLogP5.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.76
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056408
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 157124989
2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole
CID 141112908
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole (CID 166583056) is 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole is Clc1cccc(-c2cccc(-c3nc4ccccc4o3)c2)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole?
The InChIKey is NTWHCPXASRACPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO/c20-16-8-4-6-14(12-16)13-5-3-7-15(11-13)19-21-17-9-1-2-10-18(17)22-19/h1-12H.
What are the key properties of 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole?
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole has a molecular weight of 305.76 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 166583056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).