4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one

C9H17N3O2 — CID 130949349

IUPAC4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one
SMILESNC1CCC(NC2CONC2=O)CC1
InChIInChI=1S/C9H17N3O2/c10-6-1-3-7(4-2-6)11-8-5-14-12-9(8)13/h6-8,11H,1-5,10H2,(H,12,13)
InChIKeyIAZRYUCSVQYOQV-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.72
Rot. Bonds2

About 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one

4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one (PubChem CID 130949349) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one
PubChem CID130949349
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one
SMILESNC1CCC(NC2CONC2=O)CC1
InChIInChI=1S/C9H17N3O2/c10-6-1-3-7(4-2-6)11-8-5-14-12-9(8)13/h6-8,11H,1-5,10H2,(H,12,13)
InChIKeyIAZRYUCSVQYOQV-UHFFFAOYSA-N
XLogP-0.72
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Piperidino-3-isoxazolidinone
CID 129805128
2-(4-aminopiperidin-1-yl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide
CID 79523293
2-(cyclopentylamino)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide
CID 79523562
7-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]heptanamide
CID 79523748
2-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide
CID 79524259
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]piperidine-2-carboxamide
CID 79524353
6-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide
CID 79524600
(2R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]piperidine-2-carboxamide
CID 104914262
(2S)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]piperidine-2-carboxamide
CID 104914263
(2S)-2-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]hexanamide
CID 107145972
4-(Piperidin-3-ylamino)-1,2-oxazolidin-3-one
CID 130847364
4-(Piperidin-4-ylamino)-1,2-oxazolidin-3-one
CID 130949351

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one (CID 130949349) is 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one is NC1CCC(NC2CONC2=O)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one?
The InChIKey is IAZRYUCSVQYOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-6-1-3-7(4-2-6)11-8-5-14-12-9(8)13/h6-8,11H,1-5,10H2,(H,12,13).
What are the key properties of 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one?
4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one has a molecular weight of 199.25 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one is sourced from PubChem (CID 130949349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).