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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Launch Full Analysis

Related Compounds

5-Hexyl-3-(4-methoxyphenyl)oxazolidin-2-one
CID 44155423
Ammonium, (4-hydroxy-m-cumenyl)trimethyl-, iodide, dimethylcarbamate
CID 45959
5-Benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 132574281
5-Benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one
CID 141482635
5-Fluoro-3-(4-methoxyphenyl)-5-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 141482645
5-Fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 141482652
5-Iodo-3,7-dimethyl-1,3-benzoxazol-2(3H)-one
CID 57455195
5-Hexyl-3-[4-methoxy-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 44156495
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[5-(dimethylamino)-2-methoxyphenyl]-5,5-dimethylcyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 89052289
methyl N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-methylcarbamate
CID 89052313
N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2,2-trifluoro-N-methylacetamide
CID 89052361
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-[methyl(1,1,1-trifluoropropan-2-yl)amino]phenyl]-5,5-dimethylcyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 89052483

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).