2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole

C21H16N2O — CID 23561823

IUPAC2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
SMILESC/C=C/c1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C21H16N2O/c1-2-6-15-11-13-17(14-12-15)20-22-23-21(24-20)19-10-5-8-16-7-3-4-9-18(16)19/h2-14H,1H3/b6-2+
InChIKeyKFSWOJVBTSYZHQ-QHHAFSJGSA-N
MW312.37 g/mol
LogP5.59
Rot. Bonds3

About 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole

2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole (PubChem CID 23561823) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
PubChem CID23561823
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
SMILESC/C=C/c1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C21H16N2O/c1-2-6-15-11-13-17(14-12-15)20-22-23-21(24-20)19-10-5-8-16-7-3-4-9-18(16)19/h2-14H,1H3/b6-2+
InChIKeyKFSWOJVBTSYZHQ-QHHAFSJGSA-N
XLogP5.59
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole
CID 3893702
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate
CID 122370151
1-[4-(3-methylbuta-1,3-dienyl)phenyl]naphthalene
CID 123732172
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene
CID 23386729
2-[9,9-dihexyl-7-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)fluoren-2-yl]-5-naphthalen-1-yl-1,3,4-oxadiazole
CID 58755769
2-[4-[2-[2-[6-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59228335
4-[5-(4-amino-2,3-diethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-diethylaniline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole
CID 135210846
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746089

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole (CID 23561823) is 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole is C/C=C/c1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is KFSWOJVBTSYZHQ-QHHAFSJGSA-N. The full InChI is InChI=1S/C21H16N2O/c1-2-6-15-11-13-17(14-12-15)20-22-23-21(24-20)19-10-5-8-16-7-3-4-9-18(16)19/h2-14H,1H3/b6-2+.
What are the key properties of 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole?
2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 312.37 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 23561823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).