N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C14H23N3O2 — CID 55072238

IUPACN-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCC1(C)COCCN1Cc1cc(CNC2CC2)no1
InChIInChI=1S/C14H23N3O2/c1-14(2)10-18-6-5-17(14)9-13-7-12(16-19-13)8-15-11-3-4-11/h7,11,15H,3-6,8-10H2,1-2H3
InChIKeyKXIKSBFIYKFRGJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds5

About N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 55072238) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID55072238
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCC1(C)COCCN1Cc1cc(CNC2CC2)no1
InChIInChI=1S/C14H23N3O2/c1-14(2)10-18-6-5-17(14)9-13-7-12(16-19-13)8-15-11-3-4-11/h7,11,15H,3-6,8-10H2,1-2H3
InChIKeyKXIKSBFIYKFRGJ-UHFFFAOYSA-N
XLogP1.54
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 55072238) is N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CC1(C)COCCN1Cc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is KXIKSBFIYKFRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2)10-18-6-5-17(14)9-13-7-12(16-19-13)8-15-11-3-4-11/h7,11,15H,3-6,8-10H2,1-2H3.
What are the key properties of N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 265.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55072238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).