4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine

C7H8ClN3O4 — CID 175005977

IUPAC4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine
SMILESO=[N+]([O-])C1CN(c2ncc(Cl)o2)CCO1
InChIInChI=1S/C7H8ClN3O4/c8-5-3-9-7(15-5)10-1-2-14-6(4-10)11(12)13/h3,6H,1-2,4H2
InChIKeyVPPOULUVICYEEX-UHFFFAOYSA-N
MW233.61 g/mol
LogP0.77
Rot. Bonds2

About 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine

4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine (PubChem CID 175005977) has the molecular formula C7H8ClN3O4 and a molecular weight of 233.61 g/mol. Its IUPAC name is 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine.

Molecular Properties

Compound Name4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine
PubChem CID175005977
Molecular FormulaC7H8ClN3O4
Molecular Weight233.61 g/mol
Exact Mass233.02
IUPAC Name4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine
SMILESO=[N+]([O-])C1CN(c2ncc(Cl)o2)CCO1
InChIInChI=1S/C7H8ClN3O4/c8-5-3-9-7(15-5)10-1-2-14-6(4-10)11(12)13/h3,6H,1-2,4H2
InChIKeyVPPOULUVICYEEX-UHFFFAOYSA-N
XLogP0.77
TPSA81.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.61
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine?
The IUPAC name of 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine (CID 175005977) is 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine.
What is the SMILES notation for 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine?
The canonical SMILES for 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine is O=[N+]([O-])C1CN(c2ncc(Cl)o2)CCO1.
What is the InChIKey of 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine?
The InChIKey is VPPOULUVICYEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O4/c8-5-3-9-7(15-5)10-1-2-14-6(4-10)11(12)13/h3,6H,1-2,4H2.
What are the key properties of 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine?
4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine has a molecular weight of 233.61 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-oxazol-2-yl)-2-nitromorpholine is sourced from PubChem (CID 175005977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).