4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one

C13H17NO3 — CID 18338957

IUPAC4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCCOc1ccc(CC2COC(=O)N2)cc1
InChIInChI=1S/C13H17NO3/c1-2-7-16-12-5-3-10(4-6-12)8-11-9-17-13(15)14-11/h3-6,11H,2,7-9H2,1H3,(H,14,15)
InChIKeyVKVUJHPYOXIRSC-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.13
Rot. Bonds5

About 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one

4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 18338957) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID18338957
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCCCOc1ccc(CC2COC(=O)N2)cc1
InChIInChI=1S/C13H17NO3/c1-2-7-16-12-5-3-10(4-6-12)8-11-9-17-13(15)14-11/h3-6,11H,2,7-9H2,1H3,(H,14,15)
InChIKeyVKVUJHPYOXIRSC-UHFFFAOYSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
CID 143785043
4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one
CID 175523266
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
2-ethyl-N,N-dimethylbutan-1-amine;formaldehyde;(4S)-4-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 91410933
5-[(4-butoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 3125290
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145
2-[(4-pentoxyphenyl)methyl]oxirane
CID 173250908
2-[(4-pentoxyphenyl)methyl]cyclohexan-1-one
CID 82185917

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 18338957) is 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one is CCCOc1ccc(CC2COC(=O)N2)cc1.
What is the InChIKey of 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is VKVUJHPYOXIRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-7-16-12-5-3-10(4-6-12)8-11-9-17-13(15)14-11/h3-6,11H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one?
4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18338957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).