2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole

C16H12ClNO — CID 9038895

IUPAC2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole
SMILESCc1ccc(/C=C(\Cl)c2nc3ccccc3o2)cc1
InChIInChI=1S/C16H12ClNO/c1-11-6-8-12(9-7-11)10-13(17)16-18-14-4-2-3-5-15(14)19-16/h2-10H,1H3/b13-10-
InChIKeyNOGQUJQBNQVXBQ-RAXLEYEMSA-N
MW269.73 g/mol
LogP4.87
Rot. Bonds2

About 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole

2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole (PubChem CID 9038895) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole
PubChem CID9038895
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole
SMILESCc1ccc(/C=C(\Cl)c2nc3ccccc3o2)cc1
InChIInChI=1S/C16H12ClNO/c1-11-6-8-12(9-7-11)10-13(17)16-18-14-4-2-3-5-15(14)19-16/h2-10H,1H3/b13-10-
InChIKeyNOGQUJQBNQVXBQ-RAXLEYEMSA-N
XLogP4.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole (CID 9038895) is 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole is Cc1ccc(/C=C(\Cl)c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is NOGQUJQBNQVXBQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-11-6-8-12(9-7-11)10-13(17)16-18-14-4-2-3-5-15(14)19-16/h2-10H,1H3/b13-10-.
What are the key properties of 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole?
2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 269.73 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 9038895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).