1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

C16H14N2O3 — CID 115506377

IUPAC1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOc1ccc2cccc(Cc3noc(C(C)=O)n3)c2c1
InChIInChI=1S/C16H14N2O3/c1-10(19)16-17-15(18-21-16)8-12-5-3-4-11-6-7-13(20-2)9-14(11)12/h3-7,9H,8H2,1-2H3
InChIKeyWMYAVZJIAWYHMM-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.02
Rot. Bonds4

About 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 115506377) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID115506377
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOc1ccc2cccc(Cc3noc(C(C)=O)n3)c2c1
InChIInChI=1S/C16H14N2O3/c1-10(19)16-17-15(18-21-16)8-12-5-3-4-11-6-7-13(20-2)9-14(11)12/h3-7,9H,8H2,1-2H3
InChIKeyWMYAVZJIAWYHMM-UHFFFAOYSA-N
XLogP3.02
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethyl-3-[4-(2-methyl-4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
CID 76324882
5-{[2-(6-Methoxy-2-naphthyl)morpholin-4-yl]methyl}-1,2,4-oxadiazole-3-carboxamide
CID 56878643
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
CID 43049439
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
CID 47053626
1-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)pentan-1-one
CID 127052825
4-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxy-2-naphthyl)morpholine
CID 56880097
5-Methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,2,4-oxadiazole
CID 117680159
3-Benzyl-5-[[4-(4-methoxyphenyl)phenyl]methyl]-1,2,4-oxadiazole
CID 3418603
5-[4-(Fluoromethyl)oxan-4-yl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 132329148
3-(2-Methoxybenzyl)-5-[(2-naphthyloxy)methyl]-1,2,4-oxadiazole
CID 1217503
5-Ethyl-3-(4-methoxybenzyl)-1,2,4-oxadiazole
CID 3758799
1-(2-ethoxy-1-naphthyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 56723585

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (CID 115506377) is 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is COc1ccc2cccc(Cc3noc(C(C)=O)n3)c2c1.
What is the InChIKey of 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is WMYAVZJIAWYHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(19)16-17-15(18-21-16)8-12-5-3-4-11-6-7-13(20-2)9-14(11)12/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 282.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 115506377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).