3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one

C19H22N4O2 — CID 139027517

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CC(n2c(C)nc3ccccc32)C1
InChIInChI=1S/C19H22N4O2/c1-12-16(13(2)25-21-12)8-9-19(24)22-10-15(11-22)23-14(3)20-17-6-4-5-7-18(17)23/h4-7,15H,8-11H2,1-3H3
InChIKeyPORMCKDVXOYDGI-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.97
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one (PubChem CID 139027517) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
PubChem CID139027517
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CC(n2c(C)nc3ccccc32)C1
InChIInChI=1S/C19H22N4O2/c1-12-16(13(2)25-21-12)8-9-19(24)22-10-15(11-22)23-14(3)20-17-6-4-5-7-18(17)23/h4-7,15H,8-11H2,1-3H3
InChIKeyPORMCKDVXOYDGI-UHFFFAOYSA-N
XLogP2.97
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
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CID 134700820
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CID 99986731
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3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95349356
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
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2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 42437655
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 110108266

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one (CID 139027517) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1CC(n2c(C)nc3ccccc32)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one?
The InChIKey is PORMCKDVXOYDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-16(13(2)25-21-12)8-9-19(24)22-10-15(11-22)23-14(3)20-17-6-4-5-7-18(17)23/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one has a molecular weight of 338.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 139027517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).