4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide

C10H16N4O3 — CID 106396884

IUPAC4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2ncon2)CCOCC1
InChIInChI=1S/C10H16N4O3/c11-6-10(1-3-16-4-2-10)9(15)12-5-8-13-7-17-14-8/h7H,1-6,11H2,(H,12,15)
InChIKeyIEIUQQWJVGDHSZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.56
Rot. Bonds4

About 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide

4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide (PubChem CID 106396884) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
PubChem CID106396884
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCc2ncon2)CCOCC1
InChIInChI=1S/C10H16N4O3/c11-6-10(1-3-16-4-2-10)9(15)12-5-8-13-7-17-14-8/h7H,1-6,11H2,(H,12,15)
InChIKeyIEIUQQWJVGDHSZ-UHFFFAOYSA-N
XLogP-0.56
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide (CID 106396884) is 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide is NCC1(C(=O)NCc2ncon2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
The InChIKey is IEIUQQWJVGDHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-6-10(1-3-16-4-2-10)9(15)12-5-8-13-7-17-14-8/h7H,1-6,11H2,(H,12,15).
What are the key properties of 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 106396884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).