5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride

C17H19ClN4O2S — CID 166597877

IUPAC5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOCc1ccc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)s1.Cl
InChIInChI=1S/C17H18N4O2S.ClH/c1-10-15(13-5-6-18-7-11(13)8-19-10)16-20-17(23-21-16)14-4-3-12(24-14)9-22-2;/h3-4,8,18H,5-7,9H2,1-2H3;1H
InChIKeyMOVGYGSRXLZFBL-UHFFFAOYSA-N
MW378.89 g/mol
LogP3.38
Rot. Bonds4

About 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride

5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 166597877) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID166597877
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOCc1ccc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)s1.Cl
InChIInChI=1S/C17H18N4O2S.ClH/c1-10-15(13-5-6-18-7-11(13)8-19-10)16-20-17(23-21-16)14-4-3-12(24-14)9-22-2;/h3-4,8,18H,5-7,9H2,1-2H3;1H
InChIKeyMOVGYGSRXLZFBL-UHFFFAOYSA-N
XLogP3.38
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 166597877) is 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride is COCc1ccc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)s1.Cl.
What is the InChIKey of 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is MOVGYGSRXLZFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S.ClH/c1-10-15(13-5-6-18-7-11(13)8-19-10)16-20-17(23-21-16)14-4-3-12(24-14)9-22-2;/h3-4,8,18H,5-7,9H2,1-2H3;1H.
What are the key properties of 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride?
5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 378.89 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 166597877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).