1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea

C9H17N3O3 — CID 110746780

IUPAC1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN1CCOC1=O
InChIInChI=1S/C9H17N3O3/c1-7(2)11-8(13)10-3-4-12-5-6-15-9(12)14/h7H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyPQDXTQGHDNDDND-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.15
Rot. Bonds4

About 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea

1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea (PubChem CID 110746780) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea
PubChem CID110746780
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN1CCOC1=O
InChIInChI=1S/C9H17N3O3/c1-7(2)11-8(13)10-3-4-12-5-6-15-9(12)14/h7H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyPQDXTQGHDNDDND-UHFFFAOYSA-N
XLogP0.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
CID 110746783
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 110872096
1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
CID 110747891
2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
CID 139512327
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]morpholine-4-carboxamide
CID 110872095
1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea
CID 31073667
1-(2-methylpropyl)-5-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 50956223
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245
3-(4-ethylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
CID 110707230
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 167261261
2-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707207
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
CID 61350941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea (CID 110746780) is 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCN1CCOC1=O.
What is the InChIKey of 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is PQDXTQGHDNDDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7(2)11-8(13)10-3-4-12-5-6-15-9(12)14/h7H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea?
1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 215.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 110746780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).