(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate

C17H14N2O3 — CID 18147584

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate
SMILESCc1noc(COC(=O)c2ccc3c4c(cccc24)CC3)n1
InChIInChI=1S/C17H14N2O3/c1-10-18-15(22-19-10)9-21-17(20)14-8-7-12-6-5-11-3-2-4-13(14)16(11)12/h2-4,7-8H,5-6,9H2,1H3
InChIKeyMQIOFRTZXYONAP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.99
Rot. Bonds3

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate (PubChem CID 18147584) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate
PubChem CID18147584
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate
SMILESCc1noc(COC(=O)c2ccc3c4c(cccc24)CC3)n1
InChIInChI=1S/C17H14N2O3/c1-10-18-15(22-19-10)9-21-17(20)14-8-7-12-6-5-11-3-2-4-13(14)16(11)12/h2-4,7-8H,5-6,9H2,1H3
InChIKeyMQIOFRTZXYONAP-UHFFFAOYSA-N
XLogP2.99
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate (CID 18147584) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate is Cc1noc(COC(=O)c2ccc3c4c(cccc24)CC3)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate?
The InChIKey is MQIOFRTZXYONAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-18-15(22-19-10)9-21-17(20)14-8-7-12-6-5-11-3-2-4-13(14)16(11)12/h2-4,7-8H,5-6,9H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate is sourced from PubChem (CID 18147584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).