1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea

C13H17N3O3 — CID 110747985

IUPAC1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C2CNC(=O)O2)cc1
InChIInChI=1S/C13H17N3O3/c1-8(2)15-12(17)16-10-5-3-9(4-6-10)11-7-14-13(18)19-11/h3-6,8,11H,7H2,1-2H3,(H,14,18)(H2,15,16,17)
InChIKeyDXGVCPUGGFOFSU-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.00
Rot. Bonds3

About 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea

1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea (PubChem CID 110747985) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea
PubChem CID110747985
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C2CNC(=O)O2)cc1
InChIInChI=1S/C13H17N3O3/c1-8(2)15-12(17)16-10-5-3-9(4-6-10)11-7-14-13(18)19-11/h3-6,8,11H,7H2,1-2H3,(H,14,18)(H2,15,16,17)
InChIKeyDXGVCPUGGFOFSU-UHFFFAOYSA-N
XLogP2.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-bromophenyl)-3-propan-2-ylurea
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1-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-3-propan-2-ylurea
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea (CID 110747985) is 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(C2CNC(=O)O2)cc1.
What is the InChIKey of 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea?
The InChIKey is DXGVCPUGGFOFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(2)15-12(17)16-10-5-3-9(4-6-10)11-7-14-13(18)19-11/h3-6,8,11H,7H2,1-2H3,(H,14,18)(H2,15,16,17).
What are the key properties of 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea?
1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea has a molecular weight of 263.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 110747985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).