1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea

C15H19N3O2 — CID 110642590

IUPAC1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-9-16-15(19)18-13-7-5-12(6-8-13)14-10(2)20-11(3)17-14/h5-8H,4,9H2,1-3H3,(H2,16,18,19)
InChIKeyRVJXRWIOVOWNPS-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.49
Rot. Bonds4

About 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea

1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea (PubChem CID 110642590) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea
PubChem CID110642590
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-9-16-15(19)18-13-7-5-12(6-8-13)14-10(2)20-11(3)17-14/h5-8H,4,9H2,1-3H3,(H2,16,18,19)
InChIKeyRVJXRWIOVOWNPS-UHFFFAOYSA-N
XLogP3.49
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110642555
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110417065
1-[4-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 50778075
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110642564
1-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-propylurea
CID 110749166
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
1-(4-heptylphenyl)-3-propylurea
CID 142021842
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
1-[4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 46321276
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111618292
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea?
The IUPAC name of 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea (CID 110642590) is 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea?
The canonical SMILES for 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(-c2nc(C)oc2C)cc1.
What is the InChIKey of 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea?
The InChIKey is RVJXRWIOVOWNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-9-16-15(19)18-13-7-5-12(6-8-13)14-10(2)20-11(3)17-14/h5-8H,4,9H2,1-3H3,(H2,16,18,19).
What are the key properties of 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea?
1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea has a molecular weight of 273.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-propylurea is sourced from PubChem (CID 110642590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).