1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea

C17H19N5O2 — CID 57422420

IUPAC1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
SMILESCc1noc(C)c1Cn1cc(NC(=O)NCc2ccccc2)cn1
InChIInChI=1S/C17H19N5O2/c1-12-16(13(2)24-21-12)11-22-10-15(9-19-22)20-17(23)18-8-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3,(H2,18,20,23)
InChIKeyWKXAASFSUXIKTK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.86
Rot. Bonds5

About 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea

1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea (PubChem CID 57422420) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
PubChem CID57422420
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
SMILESCc1noc(C)c1Cn1cc(NC(=O)NCc2ccccc2)cn1
InChIInChI=1S/C17H19N5O2/c1-12-16(13(2)24-21-12)11-22-10-15(9-19-22)20-17(23)18-8-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3,(H2,18,20,23)
InChIKeyWKXAASFSUXIKTK-UHFFFAOYSA-N
XLogP2.86
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea (CID 57422420) is 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea is Cc1noc(C)c1Cn1cc(NC(=O)NCc2ccccc2)cn1.
What is the InChIKey of 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea?
The InChIKey is WKXAASFSUXIKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-16(13(2)24-21-12)11-22-10-15(9-19-22)20-17(23)18-8-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3,(H2,18,20,23).
What are the key properties of 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea?
1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea has a molecular weight of 325.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 57422420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).