1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea

C14H23N5O3 — CID 72908492

IUPAC1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
SMILESCCCn1nc(C)cc1NC(=O)NCCN1CCCOC1=O
InChIInChI=1S/C14H23N5O3/c1-3-6-19-12(10-11(2)17-19)16-13(20)15-5-8-18-7-4-9-22-14(18)21/h10H,3-9H2,1-2H3,(H2,15,16,20)
InChIKeyLQRRQGDIUZJMTE-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.57
Rot. Bonds6

About 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea

1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea (PubChem CID 72908492) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
PubChem CID72908492
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
SMILESCCCn1nc(C)cc1NC(=O)NCCN1CCCOC1=O
InChIInChI=1S/C14H23N5O3/c1-3-6-19-12(10-11(2)17-19)16-13(20)15-5-8-18-7-4-9-22-14(18)21/h10H,3-9H2,1-2H3,(H2,15,16,20)
InChIKeyLQRRQGDIUZJMTE-UHFFFAOYSA-N
XLogP1.57
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea?
The IUPAC name of 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea (CID 72908492) is 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea.
What is the SMILES notation for 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea?
The canonical SMILES for 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea is CCCn1nc(C)cc1NC(=O)NCCN1CCCOC1=O.
What is the InChIKey of 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea?
The InChIKey is LQRRQGDIUZJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-3-6-19-12(10-11(2)17-19)16-13(20)15-5-8-18-7-4-9-22-14(18)21/h10H,3-9H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea?
1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea has a molecular weight of 309.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea is sourced from PubChem (CID 72908492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).