1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea

C15H19N3O3 — CID 111119320

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(O)CNC(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C15H19N3O3/c1-9-6-4-5-7-12(9)13(19)8-16-14(20)18-15-17-10(2)11(3)21-15/h4-7,13,19H,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyCOGGTCDTDBRFLZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.45
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea (PubChem CID 111119320) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
PubChem CID111119320
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(O)CNC(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C15H19N3O3/c1-9-6-4-5-7-12(9)13(19)8-16-14(20)18-15-17-10(2)11(3)21-15/h4-7,13,19H,8H2,1-3H3,(H2,16,17,18,20)
InChIKeyCOGGTCDTDBRFLZ-UHFFFAOYSA-N
XLogP2.45
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea (CID 111119320) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea is Cc1ccccc1C(O)CNC(=O)Nc1nc(C)c(C)o1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The InChIKey is COGGTCDTDBRFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-6-4-5-7-12(9)13(19)8-16-14(20)18-15-17-10(2)11(3)21-15/h4-7,13,19H,8H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea has a molecular weight of 289.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 111119320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).