3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole

C25H17NO — CID 18874844

IUPAC3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole
SMILESC(=C/c1ccc2noc(-c3cccc4ccccc34)c2c1)\c1ccccc1
InChIInChI=1S/C25H17NO/c1-2-7-18(8-3-1)13-14-19-15-16-24-23(17-19)25(27-26-24)22-12-6-10-20-9-4-5-11-21(20)22/h1-17H/b14-13+
InChIKeySMUBUKQRBCXKDP-BUHFOSPRSA-N
MW347.42 g/mol
LogP6.82
Rot. Bonds3

About 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole

3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole (PubChem CID 18874844) has the molecular formula C25H17NO and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole.

Molecular Properties

Compound Name3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole
PubChem CID18874844
Molecular FormulaC25H17NO
Molecular Weight347.42 g/mol
Exact Mass347.13
IUPAC Name3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole
SMILESC(=C/c1ccc2noc(-c3cccc4ccccc34)c2c1)\c1ccccc1
InChIInChI=1S/C25H17NO/c1-2-7-18(8-3-1)13-14-19-15-16-24-23(17-19)25(27-26-24)22-12-6-10-20-9-4-5-11-21(20)22/h1-17H/b14-13+
InChIKeySMUBUKQRBCXKDP-BUHFOSPRSA-N
XLogP6.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-phenylethenyl)phenyl]naphthalene
CID 72533477
3-[(Z)-2-phenylethenyl]chrysene
CID 14241298
3-anthracen-1-yl-2,1-benzoxazole
CID 141121933
3-(4-benzylphenyl)-2,1-benzoxazole-5-carbaldehyde
CID 169143781
2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline
CID 156809469
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
9-[4-(3,5-diphenylphenyl)phenyl]-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123749528
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
CID 71373696
2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
CID 23561823
2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde
CID 88602472
2-(5-methyl-2,1-benzoxazol-3-yl)benzaldehyde
CID 105498880

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole?
The IUPAC name of 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole (CID 18874844) is 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole.
What is the SMILES notation for 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole?
The canonical SMILES for 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole is C(=C/c1ccc2noc(-c3cccc4ccccc34)c2c1)\c1ccccc1.
What is the InChIKey of 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole?
The InChIKey is SMUBUKQRBCXKDP-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H17NO/c1-2-7-18(8-3-1)13-14-19-15-16-24-23(17-19)25(27-26-24)22-12-6-10-20-9-4-5-11-21(20)22/h1-17H/b14-13+.
What are the key properties of 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole?
3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole has a molecular weight of 347.42 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole is sourced from PubChem (CID 18874844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).