[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C14H17N3O3 — CID 50809277

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2c(C)noc2C)no1
InChIInChI=1S/C14H17N3O3/c1-8-7-11(16-19-8)14(18)17-6-4-5-12(17)13-9(2)15-20-10(13)3/h7,12H,4-6H2,1-3H3
InChIKeyWWNZCEJUDPMYJP-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.57
Rot. Bonds2

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 50809277) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID50809277
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2c(C)noc2C)no1
InChIInChI=1S/C14H17N3O3/c1-8-7-11(16-19-8)14(18)17-6-4-5-12(17)13-9(2)15-20-10(13)3/h7,12H,4-6H2,1-3H3
InChIKeyWWNZCEJUDPMYJP-UHFFFAOYSA-N
XLogP2.57
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95222314
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893531
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95722539
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893519
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95052032
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
(2,6-dimethoxyphenyl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893574
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044050
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 50809277) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCCC2c2c(C)noc2C)no1.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is WWNZCEJUDPMYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-7-11(16-19-8)14(18)17-6-4-5-12(17)13-9(2)15-20-10(13)3/h7,12H,4-6H2,1-3H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 50809277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).