1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea

C14H18ClN3O3 — CID 110747899

IUPAC1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea
SMILESCC(C)(CNC(=O)Nc1cccc(Cl)c1)N1CCOC1=O
InChIInChI=1S/C14H18ClN3O3/c1-14(2,18-6-7-21-13(18)20)9-16-12(19)17-11-5-3-4-10(15)8-11/h3-5,8H,6-7,9H2,1-2H3,(H2,16,17,19)
InChIKeyJHMSPVBBZHSZQQ-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.69
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea

1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea (PubChem CID 110747899) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea
PubChem CID110747899
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea
SMILESCC(C)(CNC(=O)Nc1cccc(Cl)c1)N1CCOC1=O
InChIInChI=1S/C14H18ClN3O3/c1-14(2,18-6-7-21-13(18)20)9-16-12(19)17-11-5-3-4-10(15)8-11/h3-5,8H,6-7,9H2,1-2H3,(H2,16,17,19)
InChIKeyJHMSPVBBZHSZQQ-UHFFFAOYSA-N
XLogP2.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea (CID 110747899) is 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea is CC(C)(CNC(=O)Nc1cccc(Cl)c1)N1CCOC1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea?
The InChIKey is JHMSPVBBZHSZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-14(2,18-6-7-21-13(18)20)9-16-12(19)17-11-5-3-4-10(15)8-11/h3-5,8H,6-7,9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea?
1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea has a molecular weight of 311.77 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]urea is sourced from PubChem (CID 110747899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).