5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione

C12H13NO4 — CID 114239608

IUPAC5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCCCOc1cccc(C2OC(=O)NC2=O)c1
InChIInChI=1S/C12H13NO4/c1-2-6-16-9-5-3-4-8(7-9)10-11(14)13-12(15)17-10/h3-5,7,10H,2,6H2,1H3,(H,13,14,15)
InChIKeyZCMJYVBIQNURKY-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.78
Rot. Bonds4

About 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione

5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 114239608) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione
PubChem CID114239608
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCCCOc1cccc(C2OC(=O)NC2=O)c1
InChIInChI=1S/C12H13NO4/c1-2-6-16-9-5-3-4-8(7-9)10-11(14)13-12(15)17-10/h3-5,7,10H,2,6H2,1H3,(H,13,14,15)
InChIKeyZCMJYVBIQNURKY-UHFFFAOYSA-N
XLogP1.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 69354065
5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione
CID 13092013
5-[3-[3-(2-chloro-4-cyclopentylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione;5-[3-[3-[2-chloro-4-(4,4-difluorocyclohexyl)phenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione;5-[3-[3-[2-chloro-4-(4,4-dimethylcyclohexyl)phenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione;5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione;5-[3-[3-(4-cyclopentyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione;5-[3-[3-[4-(4,4-difluorocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione;5-[3-[3-[4-(4,4-dimethylcyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 161395048
2-(cyclopropylamino)-4-(3-propoxyphenyl)-1,4-dihydroimidazol-5-one
CID 82998420
2-ethyl-2-methyl-6-(3-propoxyphenyl)morpholine
CID 114497269
1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione
CID 59172842
7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65211299
(2S)-2-(3-butoxyphenyl)aziridine
CID 55262562
1-[2-(chloromethyl)cyclopropyl]-3-propoxybenzene
CID 81358665
3-bromo-4-(3-ethoxyphenyl)pyrrolidine-2,5-dione
CID 106695233
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CID 104949995

Frequently Asked Questions

What is the IUPAC name of 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione (CID 114239608) is 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione is CCCOc1cccc(C2OC(=O)NC2=O)c1.
What is the InChIKey of 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is ZCMJYVBIQNURKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-6-16-9-5-3-4-8(7-9)10-11(14)13-12(15)17-10/h3-5,7,10H,2,6H2,1H3,(H,13,14,15).
What are the key properties of 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione?
5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 114239608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).