1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C17H18N4O2 — CID 90505792

IUPAC1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H18N4O2/c1-10-13(11(2)23-20-10)7-16(22)21-8-12(9-21)17-18-14-5-3-4-6-15(14)19-17/h3-6,12H,7-9H2,1-2H3,(H,18,19)
InChIKeyQUNVSGUBJMYMRR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.34
Rot. Bonds3

About 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 90505792) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID90505792
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H18N4O2/c1-10-13(11(2)23-20-10)7-16(22)21-8-12(9-21)17-18-14-5-3-4-6-15(14)19-17/h3-6,12H,7-9H2,1-2H3,(H,18,19)
InChIKeyQUNVSGUBJMYMRR-UHFFFAOYSA-N
XLogP2.34
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone with MolForge

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]ethanone
CID 77097499
1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 77097531
N-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 166217161
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134714631
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone
CID 90648113
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51725949
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
3-(1H-benzimidazol-2-yl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134714693
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid
CID 116681238
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 24685775

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 90505792) is 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is QUNVSGUBJMYMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-13(11(2)23-20-10)7-16(22)21-8-12(9-21)17-18-14-5-3-4-6-15(14)19-17/h3-6,12H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 310.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 90505792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).