1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea

C22H23N7O2 — CID 122183099

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea
SMILESCn1cc(-c2cncc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)no4)cc3)n2)cn1
InChIInChI=1S/C22H23N7O2/c1-22(2,3)19-9-20(31-28-19)27-21(30)25-16-7-5-14(6-8-16)17-11-23-12-18(26-17)15-10-24-29(4)13-15/h5-13H,1-4H3,(H2,25,27,30)
InChIKeyOSDSLNBKGDENNX-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.47
Rot. Bonds4

About 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea (PubChem CID 122183099) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea
PubChem CID122183099
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea
SMILESCn1cc(-c2cncc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)no4)cc3)n2)cn1
InChIInChI=1S/C22H23N7O2/c1-22(2,3)19-9-20(31-28-19)27-21(30)25-16-7-5-14(6-8-16)17-11-23-12-18(26-17)15-10-24-29(4)13-15/h5-13H,1-4H3,(H2,25,27,30)
InChIKeyOSDSLNBKGDENNX-UHFFFAOYSA-N
XLogP4.47
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea (CID 122183099) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea is Cn1cc(-c2cncc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)no4)cc3)n2)cn1.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea?
The InChIKey is OSDSLNBKGDENNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-22(2,3)19-9-20(31-28-19)27-21(30)25-16-7-5-14(6-8-16)17-11-23-12-18(26-17)15-10-24-29(4)13-15/h5-13H,1-4H3,(H2,25,27,30).
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea?
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea has a molecular weight of 417.47 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]phenyl]urea is sourced from PubChem (CID 122183099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).