1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C15H15N5O2 — CID 51088894

IUPAC1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21)
InChIKeyHPOHLKVNAQMNHB-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.87
Rot. Bonds4

About 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 51088894) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID51088894
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21)
InChIKeyHPOHLKVNAQMNHB-UHFFFAOYSA-N
XLogP2.87
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 51088894) is 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2cnn(Cc3ccccc3)c2)no1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is HPOHLKVNAQMNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 297.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 51088894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).