N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide

C27H32N6O2 — CID 167160862

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-n3cnc4cc(NC5CCNCC5)ccc43)cc2)on1
InChIInChI=1S/C27H32N6O2/c1-27(2,3)24-16-26(35-32-24)31-25(34)14-18-4-7-21(8-5-18)33-17-29-22-15-20(6-9-23(22)33)30-19-10-12-28-13-11-19/h4-9,15-17,19,28,30H,10-14H2,1-3H3,(H,31,34)
InChIKeyXUUIIWVAOSLFMK-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.66
Rot. Bonds6

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide (PubChem CID 167160862) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide
PubChem CID167160862
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(-n3cnc4cc(NC5CCNCC5)ccc43)cc2)on1
InChIInChI=1S/C27H32N6O2/c1-27(2,3)24-16-26(35-32-24)31-25(34)14-18-4-7-21(8-5-18)33-17-29-22-15-20(6-9-23(22)33)30-19-10-12-28-13-11-19/h4-9,15-17,19,28,30H,10-14H2,1-3H3,(H,31,34)
InChIKeyXUUIIWVAOSLFMK-UHFFFAOYSA-N
XLogP4.66
TPSA97.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide (CID 167160862) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(-n3cnc4cc(NC5CCNCC5)ccc43)cc2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide?
The InChIKey is XUUIIWVAOSLFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-27(2,3)24-16-26(35-32-24)31-25(34)14-18-4-7-21(8-5-18)33-17-29-22-15-20(6-9-23(22)33)30-19-10-12-28-13-11-19/h4-9,15-17,19,28,30H,10-14H2,1-3H3,(H,31,34).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide has a molecular weight of 472.59 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(piperidin-4-ylamino)benzimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 167160862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).