3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one

C14H18INO3 — CID 66833737

IUPAC3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1c(I)cc(N2CCOC2=O)cc1C(C)(C)C
InChIInChI=1S/C14H18INO3/c1-14(2,3)10-7-9(8-11(15)12(10)18-4)16-5-6-19-13(16)17/h7-8H,5-6H2,1-4H3
InChIKeyDHZMNSHCBIVGAK-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.55
Rot. Bonds2

About 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one

3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 66833737) has the molecular formula C14H18INO3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID66833737
Molecular FormulaC14H18INO3
Molecular Weight375.21 g/mol
Exact Mass375.03
IUPAC Name3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1c(I)cc(N2CCOC2=O)cc1C(C)(C)C
InChIInChI=1S/C14H18INO3/c1-14(2,3)10-7-9(8-11(15)12(10)18-4)16-5-6-19-13(16)17/h7-8H,5-6H2,1-4H3
InChIKeyDHZMNSHCBIVGAK-UHFFFAOYSA-N
XLogP3.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 66833737) is 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1c(I)cc(N2CCOC2=O)cc1C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DHZMNSHCBIVGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO3/c1-14(2,3)10-7-9(8-11(15)12(10)18-4)16-5-6-19-13(16)17/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one?
3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 375.21 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-5-iodo-4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66833737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).