N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C19H24N4O2 — CID 40939197

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H24N4O2/c1-11(2)9-17(19-21-15-7-5-6-8-16(15)22-19)20-18(24)10-14-12(3)23-25-13(14)4/h5-8,11,17H,9-10H2,1-4H3,(H,20,24)(H,21,22)/t17-/m0/s1
InChIKeyXQWFEBNNLMPXHD-KRWDZBQOSA-N
MW340.43 g/mol
LogP3.61
Rot. Bonds6

About N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 40939197) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID40939197
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H24N4O2/c1-11(2)9-17(19-21-15-7-5-6-8-16(15)22-19)20-18(24)10-14-12(3)23-25-13(14)4/h5-8,11,17H,9-10H2,1-4H3,(H,20,24)(H,21,22)/t17-/m0/s1
InChIKeyXQWFEBNNLMPXHD-KRWDZBQOSA-N
XLogP3.61
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40633985
2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 91821175
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 124843512
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
CID 91638824
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55430541
4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
CID 120594898
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112802220
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55618664
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 40939197) is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is XQWFEBNNLMPXHD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11(2)9-17(19-21-15-7-5-6-8-16(15)22-19)20-18(24)10-14-12(3)23-25-13(14)4/h5-8,11,17H,9-10H2,1-4H3,(H,20,24)(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 40939197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).