1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C11H18N4O2 — CID 116807359

IUPAC1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESC1CN(c2noc(CNCC3CC3)n2)CCO1
InChIInChI=1S/C11H18N4O2/c1-2-9(1)7-12-8-10-13-11(14-17-10)15-3-5-16-6-4-15/h9,12H,1-8H2
InChIKeyIJJJMHXFJISSIE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.41
Rot. Bonds5

About 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 116807359) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID116807359
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESC1CN(c2noc(CNCC3CC3)n2)CCO1
InChIInChI=1S/C11H18N4O2/c1-2-9(1)7-12-8-10-13-11(14-17-10)15-3-5-16-6-4-15/h9,12H,1-8H2
InChIKeyIJJJMHXFJISSIE-UHFFFAOYSA-N
XLogP0.41
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809224
4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807598
4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116807436
N-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 116807158
[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 104963904
1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116701649
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 116808797
2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807415
4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 116807402
4-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532558

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 116807359) is 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is C1CN(c2noc(CNCC3CC3)n2)CCO1.
What is the InChIKey of 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is IJJJMHXFJISSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-9(1)7-12-8-10-13-11(14-17-10)15-3-5-16-6-4-15/h9,12H,1-8H2.
What are the key properties of 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 116807359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).