5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one

C8H12ClNO2 — CID 18404219

IUPAC5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCl)CN1CC1CC1
InChIInChI=1S/C8H12ClNO2/c9-3-7-5-10(8(11)12-7)4-6-1-2-6/h6-7H,1-5H2
InChIKeyMRLKMIICMJFFGE-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.46
Rot. Bonds3

About 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one

5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one (PubChem CID 18404219) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one
PubChem CID18404219
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCl)CN1CC1CC1
InChIInChI=1S/C8H12ClNO2/c9-3-7-5-10(8(11)12-7)4-6-1-2-6/h6-7H,1-5H2
InChIKeyMRLKMIICMJFFGE-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one (CID 18404219) is 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one is O=C1OC(CCl)CN1CC1CC1.
What is the InChIKey of 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is MRLKMIICMJFFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c9-3-7-5-10(8(11)12-7)4-6-1-2-6/h6-7H,1-5H2.
What are the key properties of 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one?
5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 189.64 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(cyclopropylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18404219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).