1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

C17H22N6O3 — CID 119070528

IUPAC1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCCN(Cc1nc(COC)no1)C(=O)NCc1cn2cc(C)ccc2n1
InChIInChI=1S/C17H22N6O3/c1-4-22(10-16-20-14(11-25-3)21-26-16)17(24)18-7-13-9-23-8-12(2)5-6-15(23)19-13/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,18,24)
InChIKeyHGEZZNOEIXIHIO-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.90
Rot. Bonds7

About 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 119070528) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
PubChem CID119070528
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCCN(Cc1nc(COC)no1)C(=O)NCc1cn2cc(C)ccc2n1
InChIInChI=1S/C17H22N6O3/c1-4-22(10-16-20-14(11-25-3)21-26-16)17(24)18-7-13-9-23-8-12(2)5-6-15(23)19-13/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,18,24)
InChIKeyHGEZZNOEIXIHIO-UHFFFAOYSA-N
XLogP1.90
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The IUPAC name of 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 119070528) is 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is CCN(Cc1nc(COC)no1)C(=O)NCc1cn2cc(C)ccc2n1.
What is the InChIKey of 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The InChIKey is HGEZZNOEIXIHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-4-22(10-16-20-14(11-25-3)21-26-16)17(24)18-7-13-9-23-8-12(2)5-6-15(23)19-13/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,18,24).
What are the key properties of 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 358.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 119070528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).