1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C16H23N3O3 — CID 60545931

IUPAC1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCCCCCCNC(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-2-3-4-5-10-17-15(20)18-13-6-8-14(9-7-13)19-11-12-22-16(19)21/h6-9H,2-5,10-12H2,1H3,(H2,17,18,20)
InChIKeyYSADWQAWHQBGSV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.35
Rot. Bonds7

About 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 60545931) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID60545931
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCCCCCCNC(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-2-3-4-5-10-17-15(20)18-13-6-8-14(9-7-13)19-11-12-22-16(19)21/h6-9H,2-5,10-12H2,1H3,(H2,17,18,20)
InChIKeyYSADWQAWHQBGSV-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.35
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

1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 60545929
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60545752
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 60545598
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-propylpiperidin-4-yl)urea
CID 56794708
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-dodecyl-3-phenylurea
CID 3697946
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
3-[4-(propylaminomethyl)phenyl]-1,3-oxazolidin-2-one
CID 106913294
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 60545931) is 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is CCCCCCNC(=O)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is YSADWQAWHQBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-3-4-5-10-17-15(20)18-13-6-8-14(9-7-13)19-11-12-22-16(19)21/h6-9H,2-5,10-12H2,1H3,(H2,17,18,20).
What are the key properties of 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 305.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 60545931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).