3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one

C12H22N2O2 — CID 115306833

IUPAC3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNC1CCCCCC1
InChIInChI=1S/C12H22N2O2/c15-12-14(9-10-16-12)8-7-13-11-5-3-1-2-4-6-11/h11,13H,1-10H2
InChIKeySWPBPZWTCJHWID-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds4

About 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one

3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one (PubChem CID 115306833) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one
PubChem CID115306833
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNC1CCCCCC1
InChIInChI=1S/C12H22N2O2/c15-12-14(9-10-16-12)8-7-13-11-5-3-1-2-4-6-11/h11,13H,1-10H2
InChIKeySWPBPZWTCJHWID-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-2-cyclohexylethyl)-1,3-oxazolidin-2-one
CID 104747274
3-[2-cyclohexyl-2-(ethylamino)ethyl]-1,3-oxazolidin-2-one
CID 104747277
3-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
CID 72940699
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
CID 61350941
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
3-(2-iodoethyl)-1,3-oxazolidin-2-one
CID 575068
3-(2-bromoethyl)-1,3-oxazolidin-2-one
CID 22757234
1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea
CID 110746780
3-[2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 42241202
3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
CID 56748802
1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione
CID 62927219
3-[2-(2-oxocyclopentyl)ethyl]-1,3-oxazolidin-2-one
CID 79568538

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one (CID 115306833) is 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCNC1CCCCCC1.
What is the InChIKey of 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is SWPBPZWTCJHWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12-14(9-10-16-12)8-7-13-11-5-3-1-2-4-6-11/h11,13H,1-10H2.
What are the key properties of 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one?
3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cycloheptylamino)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115306833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).