1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

C17H26N4O3 — CID 91843797

IUPAC1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCOCCc1noc(CN(C)Cc2cc(C3CCCCC3)no2)n1
InChIInChI=1S/C17H26N4O3/c1-21(12-17-18-16(20-24-17)8-9-22-2)11-14-10-15(19-23-14)13-6-4-3-5-7-13/h10,13H,3-9,11-12H2,1-2H3
InChIKeySZPKOEYGPCWLKH-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.93
Rot. Bonds8

About 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 91843797) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID91843797
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCOCCc1noc(CN(C)Cc2cc(C3CCCCC3)no2)n1
InChIInChI=1S/C17H26N4O3/c1-21(12-17-18-16(20-24-17)8-9-22-2)11-14-10-15(19-23-14)13-6-4-3-5-7-13/h10,13H,3-9,11-12H2,1-2H3
InChIKeySZPKOEYGPCWLKH-UHFFFAOYSA-N
XLogP2.93
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 91843797) is 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is COCCc1noc(CN(C)Cc2cc(C3CCCCC3)no2)n1.
What is the InChIKey of 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is SZPKOEYGPCWLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-21(12-17-18-16(20-24-17)8-9-22-2)11-14-10-15(19-23-14)13-6-4-3-5-7-13/h10,13H,3-9,11-12H2,1-2H3.
What are the key properties of 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 334.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 91843797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).