4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one

C14H20N2O2 — CID 58229135

IUPAC4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)CCCc1ccc(C2COC(=O)N2)cc1
InChIInChI=1S/C14H20N2O2/c1-16(2)9-3-4-11-5-7-12(8-6-11)13-10-18-14(17)15-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyCKKBSWLVAABHTA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds5

About 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one

4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 58229135) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID58229135
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)CCCc1ccc(C2COC(=O)N2)cc1
InChIInChI=1S/C14H20N2O2/c1-16(2)9-3-4-11-5-7-12(8-6-11)13-10-18-14(17)15-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyCKKBSWLVAABHTA-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184265
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 12065059
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573468
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one (CID 58229135) is 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one is CN(C)CCCc1ccc(C2COC(=O)N2)cc1.
What is the InChIKey of 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CKKBSWLVAABHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)9-3-4-11-5-7-12(8-6-11)13-10-18-14(17)15-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one?
4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).