4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one

C10H10ClNO2 — CID 106819070

IUPAC4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(C2COC(=O)N2)cc1Cl
InChIInChI=1S/C10H10ClNO2/c1-6-2-3-7(4-8(6)11)9-5-14-10(13)12-9/h2-4,9H,5H2,1H3,(H,12,13)
InChIKeyDPCDICVUNLLCMT-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.43
Rot. Bonds1

About 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one

4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 106819070) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID106819070
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(C2COC(=O)N2)cc1Cl
InChIInChI=1S/C10H10ClNO2/c1-6-2-3-7(4-8(6)11)9-5-14-10(13)12-9/h2-4,9H,5H2,1H3,(H,12,13)
InChIKeyDPCDICVUNLLCMT-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one (CID 106819070) is 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccc(C2COC(=O)N2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DPCDICVUNLLCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-6-2-3-7(4-8(6)11)9-5-14-10(13)12-9/h2-4,9H,5H2,1H3,(H,12,13).
What are the key properties of 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one?
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 106819070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).