2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one

C14H23N3O3 — CID 78961595

IUPAC2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1noc(C)c1C(C)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-9(13-10(2)16-20-12(13)4)15-11(3)14(18)17-5-7-19-8-6-17/h9,11,15H,5-8H2,1-4H3
InChIKeyNAFMIMCHSSLSMY-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.19
Rot. Bonds4

About 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one

2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 78961595) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID78961595
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1noc(C)c1C(C)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-9(13-10(2)16-20-12(13)4)15-11(3)14(18)17-5-7-19-8-6-17/h9,11,15H,5-8H2,1-4H3
InChIKeyNAFMIMCHSSLSMY-UHFFFAOYSA-N
XLogP1.19
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one (CID 78961595) is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one is Cc1noc(C)c1C(C)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is NAFMIMCHSSLSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(13-10(2)16-20-12(13)4)15-11(3)14(18)17-5-7-19-8-6-17/h9,11,15H,5-8H2,1-4H3.
What are the key properties of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 281.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 78961595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).