4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide

C9H14N4O3 — CID 62687286

IUPAC4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCC1CCCCO1
InChIInChI=1S/C9H14N4O3/c10-8-7(12-16-13-8)9(14)11-5-6-3-1-2-4-15-6/h6H,1-5H2,(H2,10,13)(H,11,14)
InChIKeyCPPWCDLRZNXADR-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.05
Rot. Bonds3

About 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687286) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687286
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCC1CCCCO1
InChIInChI=1S/C9H14N4O3/c10-8-7(12-16-13-8)9(14)11-5-6-3-1-2-4-15-6/h6H,1-5H2,(H2,10,13)(H,11,14)
InChIKeyCPPWCDLRZNXADR-UHFFFAOYSA-N
XLogP-0.05
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (CID 62687286) is 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCC1CCCCO1.
What is the InChIKey of 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is CPPWCDLRZNXADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-8-7(12-16-13-8)9(14)11-5-6-3-1-2-4-15-6/h6H,1-5H2,(H2,10,13)(H,11,14).
What are the key properties of 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).