1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

C18H33N3O2 — CID 131938655

IUPAC1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCCC1=NOC(CN(C)CC2(N3CCOCC3)CCCCC2)C1
InChIInChI=1S/C18H33N3O2/c1-3-16-13-17(23-19-16)14-20(2)15-18(7-5-4-6-8-18)21-9-11-22-12-10-21/h17H,3-15H2,1-2H3
InChIKeyWYGUWTVSAZETPI-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.51
Rot. Bonds6

About 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (PubChem CID 131938655) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
PubChem CID131938655
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCCC1=NOC(CN(C)CC2(N3CCOCC3)CCCCC2)C1
InChIInChI=1S/C18H33N3O2/c1-3-16-13-17(23-19-16)14-20(2)15-18(7-5-4-6-8-18)21-9-11-22-12-10-21/h17H,3-15H2,1-2H3
InChIKeyWYGUWTVSAZETPI-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (CID 131938655) is 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is CCC1=NOC(CN(C)CC2(N3CCOCC3)CCCCC2)C1.
What is the InChIKey of 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The InChIKey is WYGUWTVSAZETPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-3-16-13-17(23-19-16)14-20(2)15-18(7-5-4-6-8-18)21-9-11-22-12-10-21/h17H,3-15H2,1-2H3.
What are the key properties of 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine has a molecular weight of 323.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 131938655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).