N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide

C17H20N4O2 — CID 75392661

IUPACN-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)on1
InChIInChI=1S/C17H20N4O2/c1-10-8-14(23-20-10)15(22)18-11-6-7-13-12(9-11)19-16(21(13)5)17(2,3)4/h6-9H,1-5H3,(H,18,22)
InChIKeyOLIWMELNWWJHED-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.42
Rot. Bonds2

About N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide

N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 75392661) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID75392661
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)on1
InChIInChI=1S/C17H20N4O2/c1-10-8-14(23-20-10)15(22)18-11-6-7-13-12(9-11)19-16(21(13)5)17(2,3)4/h6-9H,1-5H3,(H,18,22)
InChIKeyOLIWMELNWWJHED-UHFFFAOYSA-N
XLogP3.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methoxypropanamide
CID 84591995
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75392662
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911455
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
CID 26017452
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 75434314
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 75392661) is N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)on1.
What is the InChIKey of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OLIWMELNWWJHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-8-14(23-20-10)15(22)18-11-6-7-13-12(9-11)19-16(21(13)5)17(2,3)4/h6-9H,1-5H3,(H,18,22).
What are the key properties of N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75392661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).