2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

C21H18N2O4 — CID 2517988

IUPAC2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3cccc4ccccc34)o2)cc(OC)c1OC
InChIInChI=1S/C21H18N2O4/c1-24-17-11-14(12-18(25-2)19(17)26-3)20-22-23-21(27-20)16-10-6-8-13-7-4-5-9-15(13)16/h4-12H,1-3H3
InChIKeyURVZCOYNJVGPSQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.58
Rot. Bonds5

About 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 2517988) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID2517988
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3cccc4ccccc34)o2)cc(OC)c1OC
InChIInChI=1S/C21H18N2O4/c1-24-17-11-14(12-18(25-2)19(17)26-3)20-22-23-21(27-20)16-10-6-8-13-7-4-5-9-15(13)16/h4-12H,1-3H3
InChIKeyURVZCOYNJVGPSQ-UHFFFAOYSA-N
XLogP4.58
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 82367352
3,4,5-trimethoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)aniline
CID 122432871
2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
CID 23561823
trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane
CID 16767601
2-[2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]isoindole-1,3-dione
CID 4783431
6-chloro-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 1119335
5-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 91683246
[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl] 2-methylprop-2-enoate
CID 122370151
2-[(4-phenylphenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 60519118
2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole
CID 164628353
7-(diethylamino)-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 23987338
2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16821605

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CID 2517988) is 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(-c3cccc4ccccc34)o2)cc(OC)c1OC.
What is the InChIKey of 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is URVZCOYNJVGPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-24-17-11-14(12-18(25-2)19(17)26-3)20-22-23-21(27-20)16-10-6-8-13-7-4-5-9-15(13)16/h4-12H,1-3H3.
What are the key properties of 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 362.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2517988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).