1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea

C14H21N5O3 — CID 91649369

IUPAC1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea
SMILESCCc1onc(C)c1NC(=O)Nc1cc(CCOC)nn1C
InChIInChI=1S/C14H21N5O3/c1-5-11-13(9(2)18-22-11)16-14(20)15-12-8-10(6-7-21-4)17-19(12)3/h8H,5-7H2,1-4H3,(H2,15,16,20)
InChIKeySTZAZEYRMTZQHR-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.11
Rot. Bonds6

About 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea

1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea (PubChem CID 91649369) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea
PubChem CID91649369
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea
SMILESCCc1onc(C)c1NC(=O)Nc1cc(CCOC)nn1C
InChIInChI=1S/C14H21N5O3/c1-5-11-13(9(2)18-22-11)16-14(20)15-12-8-10(6-7-21-4)17-19(12)3/h8H,5-7H2,1-4H3,(H2,15,16,20)
InChIKeySTZAZEYRMTZQHR-UHFFFAOYSA-N
XLogP2.11
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea?
The IUPAC name of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea (CID 91649369) is 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea.
What is the SMILES notation for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea?
The canonical SMILES for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea is CCc1onc(C)c1NC(=O)Nc1cc(CCOC)nn1C.
What is the InChIKey of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea?
The InChIKey is STZAZEYRMTZQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-5-11-13(9(2)18-22-11)16-14(20)15-12-8-10(6-7-21-4)17-19(12)3/h8H,5-7H2,1-4H3,(H2,15,16,20).
What are the key properties of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea?
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea has a molecular weight of 307.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea is sourced from PubChem (CID 91649369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).