(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

C18H17N3O2S — CID 139001482

IUPAC(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(-c3cccnc3)on2)C1c1cccs1
InChIInChI=1S/C18H17N3O2S/c1-18(2)11-21(16(18)15-6-4-8-24-15)17(22)13-9-14(23-20-13)12-5-3-7-19-10-12/h3-10,16H,11H2,1-2H3
InChIKeyVQSNUKFGSXSEHG-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.02
Rot. Bonds3

About (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (PubChem CID 139001482) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
PubChem CID139001482
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(-c3cccnc3)on2)C1c1cccs1
InChIInChI=1S/C18H17N3O2S/c1-18(2)11-21(16(18)15-6-4-8-24-15)17(22)13-9-14(23-20-13)12-5-3-7-19-10-12/h3-10,16H,11H2,1-2H3
InChIKeyVQSNUKFGSXSEHG-UHFFFAOYSA-N
XLogP4.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120813991
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119651338
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 122345756
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769
5-pyridin-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 55756186
(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 50760121
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120878699
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (CID 139001482) is (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is CC1(C)CN(C(=O)c2cc(-c3cccnc3)on2)C1c1cccs1.
What is the InChIKey of (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is VQSNUKFGSXSEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-18(2)11-21(16(18)15-6-4-8-24-15)17(22)13-9-14(23-20-13)12-5-3-7-19-10-12/h3-10,16H,11H2,1-2H3.
What are the key properties of (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 139001482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).