N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide

C24H24N8O2 — CID 156704773

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cnc(CC(=O)Nc3cc(C(C)(C)C)no3)nc2)cn1
InChIInChI=1S/C24H24N8O2/c1-24(2,3)20-8-23(34-30-20)29-22(33)9-21-25-11-17(12-26-21)32-14-27-18-7-15(5-6-19(18)32)16-10-28-31(4)13-16/h5-8,10-14H,9H2,1-4H3,(H,29,33)
InChIKeyCQJHORKECBLTQO-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.68
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide (PubChem CID 156704773) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide
PubChem CID156704773
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cnc(CC(=O)Nc3cc(C(C)(C)C)no3)nc2)cn1
InChIInChI=1S/C24H24N8O2/c1-24(2,3)20-8-23(34-30-20)29-22(33)9-21-25-11-17(12-26-21)32-14-27-18-7-15(5-6-19(18)32)16-10-28-31(4)13-16/h5-8,10-14H,9H2,1-4H3,(H,29,33)
InChIKeyCQJHORKECBLTQO-UHFFFAOYSA-N
XLogP3.68
TPSA116.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide (CID 156704773) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide is Cn1cc(-c2ccc3c(c2)ncn3-c2cnc(CC(=O)Nc3cc(C(C)(C)C)no3)nc2)cn1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide?
The InChIKey is CQJHORKECBLTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-24(2,3)20-8-23(34-30-20)29-22(33)9-21-25-11-17(12-26-21)32-14-27-18-7-15(5-6-19(18)32)16-10-28-31(4)13-16/h5-8,10-14H,9H2,1-4H3,(H,29,33).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide has a molecular weight of 456.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 156704773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).