5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole

C16H13NO — CID 95479673

IUPAC5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
SMILESCc1ccc2oc(/C=C\c3ccccc3)nc2c1
InChIInChI=1S/C16H13NO/c1-12-7-9-15-14(11-12)17-16(18-15)10-8-13-5-3-2-4-6-13/h2-11H,1H3/b10-8-
InChIKeyPUHLHLQBIFRKRD-NTMALXAHSA-N
MW235.29 g/mol
LogP4.31
Rot. Bonds2

About 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole

5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole (PubChem CID 95479673) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
PubChem CID95479673
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
SMILESCc1ccc2oc(/C=C\c3ccccc3)nc2c1
InChIInChI=1S/C16H13NO/c1-12-7-9-15-14(11-12)17-16(18-15)10-8-13-5-3-2-4-6-13/h2-11H,1H3/b10-8-
InChIKeyPUHLHLQBIFRKRD-NTMALXAHSA-N
XLogP4.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 67188632
3-(5-methyl-1,3-benzoxazol-2-yl)prop-2-enoic acid
CID 131333880
2-(2,2-diphenylethenyl)-5-methyl-1,3-benzoxazole
CID 122223407
2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole;5-methyl-2-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole
CID 158708290
2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole
CID 23025902
2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 4222558
N,N-dimethyl-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3723624

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole (CID 95479673) is 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole is Cc1ccc2oc(/C=C\c3ccccc3)nc2c1.
What is the InChIKey of 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole?
The InChIKey is PUHLHLQBIFRKRD-NTMALXAHSA-N. The full InChI is InChI=1S/C16H13NO/c1-12-7-9-15-14(11-12)17-16(18-15)10-8-13-5-3-2-4-6-13/h2-11H,1H3/b10-8-.
What are the key properties of 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole?
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole has a molecular weight of 235.29 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole is sourced from PubChem (CID 95479673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).