5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C16H18N2O3 — CID 65453876

IUPAC5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCc1nc(COc2cccc3c2CCCC3=O)no1
InChIInChI=1S/C16H18N2O3/c1-2-5-16-17-15(18-21-16)10-20-14-9-4-6-11-12(14)7-3-8-13(11)19/h4,6,9H,2-3,5,7-8,10H2,1H3
InChIKeyFZTRYEWQIZCZDN-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.12
Rot. Bonds5

About 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65453876) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65453876
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCc1nc(COc2cccc3c2CCCC3=O)no1
InChIInChI=1S/C16H18N2O3/c1-2-5-16-17-15(18-21-16)10-20-14-9-4-6-11-12(14)7-3-8-13(11)19/h4,6,9H,2-3,5,7-8,10H2,1H3
InChIKeyFZTRYEWQIZCZDN-UHFFFAOYSA-N
XLogP3.12
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 65453876) is 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is CCCc1nc(COc2cccc3c2CCCC3=O)no1.
What is the InChIKey of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FZTRYEWQIZCZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-5-16-17-15(18-21-16)10-20-14-9-4-6-11-12(14)7-3-8-13(11)19/h4,6,9H,2-3,5,7-8,10H2,1H3.
What are the key properties of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 286.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65453876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).