1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

C17H19N5O3 — CID 86803910

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)n1
InChIInChI=1S/C17H19N5O3/c1-24-9-8-22-7-6-15(21-22)20-17(23)18-12-4-5-14-13(10-12)19-16(25-14)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H2,18,20,21,23)
InChIKeyAEVKFHMQICKHKJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.19
Rot. Bonds6

About 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (PubChem CID 86803910) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
PubChem CID86803910
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)n1
InChIInChI=1S/C17H19N5O3/c1-24-9-8-22-7-6-15(21-22)20-17(23)18-12-4-5-14-13(10-12)19-16(25-14)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H2,18,20,21,23)
InChIKeyAEVKFHMQICKHKJ-UHFFFAOYSA-N
XLogP3.19
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (CID 86803910) is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is COCCn1ccc(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)n1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The InChIKey is AEVKFHMQICKHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-24-9-8-22-7-6-15(21-22)20-17(23)18-12-4-5-14-13(10-12)19-16(25-14)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H2,18,20,21,23).
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea has a molecular weight of 341.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 86803910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).