4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one

C12H13NO2 — CID 79977917

IUPAC4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cccc(C3CC3)c2)CO1
InChIInChI=1S/C12H13NO2/c14-12-13-11(7-15-12)10-3-1-2-9(6-10)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,13,14)
InChIKeyLBCVKQLFLLPKIB-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.34
Rot. Bonds2

About 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one

4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one (PubChem CID 79977917) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one
PubChem CID79977917
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cccc(C3CC3)c2)CO1
InChIInChI=1S/C12H13NO2/c14-12-13-11(7-15-12)10-3-1-2-9(6-10)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,13,14)
InChIKeyLBCVKQLFLLPKIB-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
3-(2-oxo-1,3-oxazolidin-4-yl)benzonitrile
CID 130943305
(4S)-4-(3-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 171183868
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 131100701
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one (CID 79977917) is 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one is O=C1NC(c2cccc(C3CC3)c2)CO1.
What is the InChIKey of 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is LBCVKQLFLLPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12-13-11(7-15-12)10-3-1-2-9(6-10)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,13,14).
What are the key properties of 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one?
4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 79977917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).