3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one

C16H22N2O2 — CID 115918921

IUPAC3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one
SMILESCC(CC1CCC1)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H22N2O2/c1-12(10-13-4-2-5-13)17-14-6-3-7-15(11-14)18-8-9-20-16(18)19/h3,6-7,11-13,17H,2,4-5,8-10H2,1H3
InChIKeyGZPNESOAVHPCIG-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.63
Rot. Bonds5

About 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one

3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one (PubChem CID 115918921) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one
PubChem CID115918921
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one
SMILESCC(CC1CCC1)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H22N2O2/c1-12(10-13-4-2-5-13)17-14-6-3-7-15(11-14)18-8-9-20-16(18)19/h3,6-7,11-13,17H,2,4-5,8-10H2,1H3
InChIKeyGZPNESOAVHPCIG-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434
3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 63740911
3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 65080065
3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one
CID 94640750
3-[3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 71939095
3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 62090156
3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 64500021
3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 79708178
3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 80705731
3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 43787438
tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate
CID 124846666
3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 107131674

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one (CID 115918921) is 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one is CC(CC1CCC1)Nc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is GZPNESOAVHPCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(10-13-4-2-5-13)17-14-6-3-7-15(11-14)18-8-9-20-16(18)19/h3,6-7,11-13,17H,2,4-5,8-10H2,1H3.
What are the key properties of 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one?
3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115918921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).