1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

C12H21N3O3 — CID 111335796

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCN(CCO)C(=O)NCc1cc(C(C)C)no1
InChIInChI=1S/C12H21N3O3/c1-4-15(5-6-16)12(17)13-8-10-7-11(9(2)3)14-18-10/h7,9,16H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyUQTLHLFSALILCA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.32
Rot. Bonds6

About 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 111335796) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID111335796
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCN(CCO)C(=O)NCc1cc(C(C)C)no1
InChIInChI=1S/C12H21N3O3/c1-4-15(5-6-16)12(17)13-8-10-7-11(9(2)3)14-18-10/h7,9,16H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyUQTLHLFSALILCA-UHFFFAOYSA-N
XLogP1.32
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (CID 111335796) is 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is CCN(CCO)C(=O)NCc1cc(C(C)C)no1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is UQTLHLFSALILCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-15(5-6-16)12(17)13-8-10-7-11(9(2)3)14-18-10/h7,9,16H,4-6,8H2,1-3H3,(H,13,17).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 255.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 111335796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).