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

C10H15N5O4 — CID 106405899

IUPAC4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
SMILESNC(=NO)C1(C(=O)NCc2ncon2)CCOCC1
InChIInChI=1S/C10H15N5O4/c11-8(14-17)10(1-3-18-4-2-10)9(16)12-5-7-13-6-19-15-7/h6,17H,1-5H2,(H2,11,14)(H,12,16)
InChIKeyXSPWCDSGVIZYBU-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.77
Rot. Bonds4

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

4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide (PubChem CID 106405899) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
PubChem CID106405899
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
SMILESNC(=NO)C1(C(=O)NCc2ncon2)CCOCC1
InChIInChI=1S/C10H15N5O4/c11-8(14-17)10(1-3-18-4-2-10)9(16)12-5-7-13-6-19-15-7/h6,17H,1-5H2,(H2,11,14)(H,12,16)
InChIKeyXSPWCDSGVIZYBU-UHFFFAOYSA-N
XLogP-0.77
TPSA135.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(N'-hydroxycarbamimidoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxane-4-carboxamide
CID 76927078
4-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxane-4-carboxamide
CID 106396563
4-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
CID 106396884
2-(aminomethyl)-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396937
4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
CID 106397159
4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide
CID 106397300
4-carbamothioyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
CID 106399344
4-[(1,2,4-Oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 106403416
4-[[2-(1,2,4-Oxadiazol-3-yl)ethylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 106404532
4-(N'-hydroxycarbamimidoyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxane-4-carboxamide
CID 106405865
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106405912
4-(N'-hydroxycarbamimidoyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide
CID 106405923

Frequently Asked Questions

What is the IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide (CID 106405899) is 4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide is NC(=NO)C1(C(=O)NCc2ncon2)CCOCC1.
What is the InChIKey of 4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
The InChIKey is XSPWCDSGVIZYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-8(14-17)10(1-3-18-4-2-10)9(16)12-5-7-13-6-19-15-7/h6,17H,1-5H2,(H2,11,14)(H,12,16).
What are the key properties of 4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide has a molecular weight of 269.26 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 106405899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).