4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline

C15H16N4O — CID 43704898

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1nc(-c2ccc(NCc3cn[nH]c3C)cc2)co1
InChIInChI=1S/C15H16N4O/c1-10-13(8-17-19-10)7-16-14-5-3-12(4-6-14)15-9-20-11(2)18-15/h3-6,8-9,16H,7H2,1-2H3,(H,17,19)
InChIKeyADTQYQOOHYRZOD-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.29
Rot. Bonds4

About 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline

4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 43704898) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID43704898
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1nc(-c2ccc(NCc3cn[nH]c3C)cc2)co1
InChIInChI=1S/C15H16N4O/c1-10-13(8-17-19-10)7-16-14-5-3-12(4-6-14)15-9-20-11(2)18-15/h3-6,8-9,16H,7H2,1-2H3,(H,17,19)
InChIKeyADTQYQOOHYRZOD-UHFFFAOYSA-N
XLogP3.29
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (CID 43704898) is 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is Cc1nc(-c2ccc(NCc3cn[nH]c3C)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is ADTQYQOOHYRZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-13(8-17-19-10)7-16-14-5-3-12(4-6-14)15-9-20-11(2)18-15/h3-6,8-9,16H,7H2,1-2H3,(H,17,19).
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 268.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43704898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).