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

C16H16N2O3 — CID 65455205

IUPAC5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCc3noc(C4CC4)n3)cccc21
InChIInChI=1S/C16H16N2O3/c19-13-5-1-4-12-11(13)3-2-6-14(12)20-9-15-17-16(21-18-15)10-7-8-10/h2-3,6,10H,1,4-5,7-9H2
InChIKeyHFVPCHXSQVLNFH-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.05
Rot. Bonds4

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

5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65455205) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65455205
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCc3noc(C4CC4)n3)cccc21
InChIInChI=1S/C16H16N2O3/c19-13-5-1-4-12-11(13)3-2-6-14(12)20-9-15-17-16(21-18-15)10-7-8-10/h2-3,6,10H,1,4-5,7-9H2
InChIKeyHFVPCHXSQVLNFH-UHFFFAOYSA-N
XLogP3.05
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one
CID 136516652
5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65453876
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456100
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 22854106
5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455572
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790986
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
CID 61497495
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345
5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456156
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 86748747

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 65455205) is 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCc3noc(C4CC4)n3)cccc21.
What is the InChIKey of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HFVPCHXSQVLNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-13-5-1-4-12-11(13)3-2-6-14(12)20-9-15-17-16(21-18-15)10-7-8-10/h2-3,6,10H,1,4-5,7-9H2.
What are the key properties of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 284.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65455205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).