[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate

C20H20N4O4 — CID 18140195

IUPAC[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCc1ccccc1-c1noc(COC(=O)c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C20H20N4O4/c1-14-4-2-3-5-16(14)19-22-18(28-23-19)13-27-20(25)15-6-7-17(21-12-15)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3
InChIKeyKQZHXIRYHMYEPH-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.63
Rot. Bonds5

About [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 18140195) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID18140195
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCc1ccccc1-c1noc(COC(=O)c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C20H20N4O4/c1-14-4-2-3-5-16(14)19-22-18(28-23-19)13-27-20(25)15-6-7-17(21-12-15)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3
InChIKeyKQZHXIRYHMYEPH-UHFFFAOYSA-N
XLogP2.63
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(dimethylamino)benzoate
CID 8533566
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 16603556
N-(2-methoxyethyl)-6-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 86941355
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(1,3-dithian-2-yl)benzoate
CID 8595642
[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 30292906
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16596407
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1H-pyrrole-2-carboxylate
CID 8550082
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681084
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 9478389
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-ethyl-4-oxophthalazine-1-carboxylate
CID 55305702
N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142801
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 8909683

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate (CID 18140195) is [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate is Cc1ccccc1-c1noc(COC(=O)c2ccc(N3CCOCC3)nc2)n1.
What is the InChIKey of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is KQZHXIRYHMYEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-14-4-2-3-5-16(14)19-22-18(28-23-19)13-27-20(25)15-6-7-17(21-12-15)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3.
What are the key properties of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate?
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 18140195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).