(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane

C12H15N3O2 — CID 125456577

IUPAC(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane
SMILESCOc1ccccc1[C@@H]1CO[C@H](CN=[N+]=[N-])C1
InChIInChI=1S/C12H15N3O2/c1-16-12-5-3-2-4-11(12)9-6-10(17-8-9)7-14-15-13/h2-5,9-10H,6-8H2,1H3/t9-,10-/m0/s1
InChIKeyOSGFLLHPENIMNH-UWVGGRQHSA-N
MW233.27 g/mol
LogP2.88
Rot. Bonds4

About (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane

(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane (PubChem CID 125456577) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane.

Molecular Properties

Compound Name(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane
PubChem CID125456577
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane
SMILESCOc1ccccc1[C@@H]1CO[C@H](CN=[N+]=[N-])C1
InChIInChI=1S/C12H15N3O2/c1-16-12-5-3-2-4-11(12)9-6-10(17-8-9)7-14-15-13/h2-5,9-10H,6-8H2,1H3/t9-,10-/m0/s1
InChIKeyOSGFLLHPENIMNH-UWVGGRQHSA-N
XLogP2.88
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane?
The IUPAC name of (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane (CID 125456577) is (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane.
What is the SMILES notation for (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane?
The canonical SMILES for (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane is COc1ccccc1[C@@H]1CO[C@H](CN=[N+]=[N-])C1.
What is the InChIKey of (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane?
The InChIKey is OSGFLLHPENIMNH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-12-5-3-2-4-11(12)9-6-10(17-8-9)7-14-15-13/h2-5,9-10H,6-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane?
(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane has a molecular weight of 233.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane is sourced from PubChem (CID 125456577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).