N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

C15H27N3O2 — CID 62461591

IUPACN-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCC1COC(C)CN1Cc1cc(CNC(C)C)no1
InChIInChI=1S/C15H27N3O2/c1-5-14-10-19-12(4)8-18(14)9-15-6-13(17-20-15)7-16-11(2)3/h6,11-12,14,16H,5,7-10H2,1-4H3
InChIKeyABIVQNPXRQYZMY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.17
Rot. Bonds6

About N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62461591) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62461591
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCC1COC(C)CN1Cc1cc(CNC(C)C)no1
InChIInChI=1S/C15H27N3O2/c1-5-14-10-19-12(4)8-18(14)9-15-6-13(17-20-15)7-16-11(2)3/h6,11-12,14,16H,5,7-10H2,1-4H3
InChIKeyABIVQNPXRQYZMY-UHFFFAOYSA-N
XLogP2.17
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62461591) is N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is CCC1COC(C)CN1Cc1cc(CNC(C)C)no1.
What is the InChIKey of N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is ABIVQNPXRQYZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-14-10-19-12(4)8-18(14)9-15-6-13(17-20-15)7-16-11(2)3/h6,11-12,14,16H,5,7-10H2,1-4H3.
What are the key properties of N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62461591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).