6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one

C15H18ClNO2 — CID 83148970

IUPAC6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(Cl)C(C)C3CC3)ccc21
InChIInChI=1S/C15H18ClNO2/c1-3-17-12-7-6-11(8-13(12)19-15(17)18)14(16)9(2)10-4-5-10/h6-10,14H,3-5H2,1-2H3
InChIKeyLBOMSKBNQGSGGJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.94
Rot. Bonds4

About 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one

6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one (PubChem CID 83148970) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one
PubChem CID83148970
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(Cl)C(C)C3CC3)ccc21
InChIInChI=1S/C15H18ClNO2/c1-3-17-12-7-6-11(8-13(12)19-15(17)18)14(16)9(2)10-4-5-10/h6-10,14H,3-5H2,1-2H3
InChIKeyLBOMSKBNQGSGGJ-UHFFFAOYSA-N
XLogP3.94
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one (CID 83148970) is 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(C(Cl)C(C)C3CC3)ccc21.
What is the InChIKey of 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one?
The InChIKey is LBOMSKBNQGSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-17-12-7-6-11(8-13(12)19-15(17)18)14(16)9(2)10-4-5-10/h6-10,14H,3-5H2,1-2H3.
What are the key properties of 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one?
6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one has a molecular weight of 279.77 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 83148970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).