N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C11H20N4O3 — CID 57106441

IUPACN-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC1CCC(CN=[N+]=[N-])O1
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-15(8-16)7-10-5-4-9(17-10)6-13-14-12/h8-10H,4-7H2,1-3H3
InChIKeyGSZQQQXIZZOINV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.03
Rot. Bonds6

About N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57106441) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57106441
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC NameN-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC1CCC(CN=[N+]=[N-])O1
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-15(8-16)7-10-5-4-9(17-10)6-13-14-12/h8-10H,4-7H2,1-3H3
InChIKeyGSZQQQXIZZOINV-UHFFFAOYSA-N
XLogP2.03
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57307500

Frequently Asked Questions

What is the IUPAC name of N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57106441) is N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CC1CCC(CN=[N+]=[N-])O1.
What is the InChIKey of N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is GSZQQQXIZZOINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,3)18-15(8-16)7-10-5-4-9(17-10)6-13-14-12/h8-10H,4-7H2,1-3H3.
What are the key properties of N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 256.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(azidomethyl)oxolan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57106441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).