N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C21H20N4O2 — CID 47069211

IUPACN-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCCn1cnc2ccccc21
InChIInChI=1S/C21H20N4O2/c1-15-18(24-21(27-15)16-7-3-2-4-8-16)13-20(26)22-11-12-25-14-23-17-9-5-6-10-19(17)25/h2-10,14H,11-13H2,1H3,(H,22,26)
InChIKeyXFIKSOUCUGIHAH-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 47069211) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID47069211
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCCn1cnc2ccccc21
InChIInChI=1S/C21H20N4O2/c1-15-18(24-21(27-15)16-7-3-2-4-8-16)13-20(26)22-11-12-25-14-23-17-9-5-6-10-19(17)25/h2-10,14H,11-13H2,1H3,(H,22,26)
InChIKeyXFIKSOUCUGIHAH-UHFFFAOYSA-N
XLogP3.36
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 95167723
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 30396724
N-(4-hydroxy-2-methylpentyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111447499
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24675874

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 47069211) is N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)NCCn1cnc2ccccc21.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is XFIKSOUCUGIHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-18(24-21(27-15)16-7-3-2-4-8-16)13-20(26)22-11-12-25-14-23-17-9-5-6-10-19(17)25/h2-10,14H,11-13H2,1H3,(H,22,26).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 47069211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).