1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C10H18N4O2 — CID 106969411

IUPAC1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCCC1COCCN1c1nnc(CNC)o1
InChIInChI=1S/C10H18N4O2/c1-3-8-7-15-5-4-14(8)10-13-12-9(16-10)6-11-2/h8,11H,3-7H2,1-2H3
InChIKeyMVCHSXAKYYIDKR-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.40
Rot. Bonds4

About 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 106969411) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID106969411
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCCC1COCCN1c1nnc(CNC)o1
InChIInChI=1S/C10H18N4O2/c1-3-8-7-15-5-4-14(8)10-13-12-9(16-10)6-11-2/h8,11H,3-7H2,1-2H3
InChIKeyMVCHSXAKYYIDKR-UHFFFAOYSA-N
XLogP0.40
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 106969411) is 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CCC1COCCN1c1nnc(CNC)o1.
What is the InChIKey of 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is MVCHSXAKYYIDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-8-7-15-5-4-14(8)10-13-12-9(16-10)6-11-2/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 226.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106969411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).