5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C19H20N4O4 — CID 56878643

IUPAC5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc2cc(C3CN(Cc4nc(C(N)=O)no4)CCO3)ccc2c1
InChIInChI=1S/C19H20N4O4/c1-25-15-5-4-12-8-14(3-2-13(12)9-15)16-10-23(6-7-26-16)11-17-21-19(18(20)24)22-27-17/h2-5,8-9,16H,6-7,10-11H2,1H3,(H2,20,24)
InChIKeySRGIMXXJTHRHOX-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.90
Rot. Bonds5

About 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 56878643) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID56878643
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc2cc(C3CN(Cc4nc(C(N)=O)no4)CCO3)ccc2c1
InChIInChI=1S/C19H20N4O4/c1-25-15-5-4-12-8-14(3-2-13(12)9-15)16-10-23(6-7-26-16)11-17-21-19(18(20)24)22-27-17/h2-5,8-9,16H,6-7,10-11H2,1H3,(H2,20,24)
InChIKeySRGIMXXJTHRHOX-UHFFFAOYSA-N
XLogP1.90
TPSA103.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[3-(6-butoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 127052139
(2S)-2-[3-(6-pentoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 127052140
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 16191124
(2S)-2-[3-(6-hexoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 127052141
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
CID 162650909
(2S)-2-[3-[6-[(4-methylphenyl)methoxy]naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 127049938
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
5-Methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 75464148
4-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxy-2-naphthyl)morpholine
CID 56880097
1-{3-[(Naphthalen-2-yloxy)methyl]-1,2,4-oxadiazol-5-yl}methanamine
CID 28351843
(2S)-2-[3-[6-(2-methylpropoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 121266278

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 56878643) is 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is COc1ccc2cc(C3CN(Cc4nc(C(N)=O)no4)CCO3)ccc2c1.
What is the InChIKey of 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SRGIMXXJTHRHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-15-5-4-12-8-14(3-2-13(12)9-15)16-10-23(6-7-26-16)11-17-21-19(18(20)24)22-27-17/h2-5,8-9,16H,6-7,10-11H2,1H3,(H2,20,24).
What are the key properties of 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 56878643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).