4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide

C11H18N4O3 — CID 106397300

IUPAC4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCCc2ncno2)CCOCC1
InChIInChI=1S/C11H18N4O3/c12-7-11(2-5-17-6-3-11)10(16)13-4-1-9-14-8-15-18-9/h8H,1-7,12H2,(H,13,16)
InChIKeyKELRDPAQFPETDE-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.52
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide (PubChem CID 106397300) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide
PubChem CID106397300
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCCc2ncno2)CCOCC1
InChIInChI=1S/C11H18N4O3/c12-7-11(2-5-17-6-3-11)10(16)13-4-1-9-14-8-15-18-9/h8H,1-7,12H2,(H,13,16)
InChIKeyKELRDPAQFPETDE-UHFFFAOYSA-N
XLogP-0.52
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide (CID 106397300) is 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide is NCC1(C(=O)NCCc2ncno2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide?
The InChIKey is KELRDPAQFPETDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c12-7-11(2-5-17-6-3-11)10(16)13-4-1-9-14-8-15-18-9/h8H,1-7,12H2,(H,13,16).
What are the key properties of 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 106397300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).