N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide

C10H16N4O3 — CID 163622831

IUPACN-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCNCNC(=O)c1nnc(C2CCOCC2)o1
InChIInChI=1S/C10H16N4O3/c1-11-6-12-8(15)10-14-13-9(17-10)7-2-4-16-5-3-7/h7,11H,2-6H2,1H3,(H,12,15)
InChIKeyHPOYXPNJQMUJHM-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.13
Rot. Bonds4

About N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide

N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 163622831) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID163622831
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCNCNC(=O)c1nnc(C2CCOCC2)o1
InChIInChI=1S/C10H16N4O3/c1-11-6-12-8(15)10-14-13-9(17-10)7-2-4-16-5-3-7/h7,11H,2-6H2,1H3,(H,12,15)
InChIKeyHPOYXPNJQMUJHM-UHFFFAOYSA-N
XLogP-0.13
TPSA89.28 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 ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide (CID 163622831) is N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide is CNCNC(=O)c1nnc(C2CCOCC2)o1.
What is the InChIKey of N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HPOYXPNJQMUJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-11-6-12-8(15)10-14-13-9(17-10)7-2-4-16-5-3-7/h7,11H,2-6H2,1H3,(H,12,15).
What are the key properties of N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide?
N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 163622831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).