1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea

C10H19N3O3 — CID 110747891

IUPAC1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
SMILESCCCNC(=O)NCCCN1CCOC1=O
InChIInChI=1S/C10H19N3O3/c1-2-4-11-9(14)12-5-3-6-13-7-8-16-10(13)15/h2-8H2,1H3,(H2,11,12,14)
InChIKeyKPEAAWZFYBYPQK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.54
Rot. Bonds6

About 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea

1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea (PubChem CID 110747891) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
PubChem CID110747891
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
SMILESCCCNC(=O)NCCCN1CCOC1=O
InChIInChI=1S/C10H19N3O3/c1-2-4-11-9(14)12-5-3-6-13-7-8-16-10(13)15/h2-8H2,1H3,(H2,11,12,14)
InChIKeyKPEAAWZFYBYPQK-UHFFFAOYSA-N
XLogP0.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-octadecyl-1,3-oxazolidin-2-one
CID 59720965
3-octyl-1,3-oxazolidin-2-one
CID 3565999
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
CID 61350941
1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
CID 110746783
1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea
CID 110746780
4-tert-butyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719243
4-(2-oxo-1,3-oxazolidin-3-yl)butanehydrazide
CID 61405937
5-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrrolidine-2-carboxamide
CID 110743126
3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one
CID 70290547
5-bromo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]furan-2-carboxamide
CID 110743138
3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719239
3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
CID 151323535

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea?
The IUPAC name of 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea (CID 110747891) is 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea.
What is the SMILES notation for 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea?
The canonical SMILES for 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea is CCCNC(=O)NCCCN1CCOC1=O.
What is the InChIKey of 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea?
The InChIKey is KPEAAWZFYBYPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-4-11-9(14)12-5-3-6-13-7-8-16-10(13)15/h2-8H2,1H3,(H2,11,12,14).
What are the key properties of 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea?
1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea has a molecular weight of 229.28 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea is sourced from PubChem (CID 110747891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).