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

C16H21N3O3 — CID 92731798

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1cc([C@@H]2CCCN2C(=O)c2c(C)noc2C)no1
InChIInChI=1S/C16H21N3O3/c1-4-6-12-9-13(18-22-12)14-7-5-8-19(14)16(20)15-10(2)17-21-11(15)3/h9,14H,4-8H2,1-3H3/t14-/m0/s1
InChIKeyDLAZNYOSBOQOLV-AWEZNQCLSA-N
MW303.36 g/mol
LogP3.21
Rot. Bonds4

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

(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 92731798) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID92731798
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1cc([C@@H]2CCCN2C(=O)c2c(C)noc2C)no1
InChIInChI=1S/C16H21N3O3/c1-4-6-12-9-13(18-22-12)14-7-5-8-19(14)16(20)15-10(2)17-21-11(15)3/h9,14H,4-8H2,1-3H3/t14-/m0/s1
InChIKeyDLAZNYOSBOQOLV-AWEZNQCLSA-N
XLogP3.21
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586742
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
(4-chloro-1-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586726
[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 46953255
(2S)-N-(3,4-dimethylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079639
(2R)-N-cyclohexyl-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070289
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118399
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2R)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]azepan-1-yl]methanone
CID 92605364
3-phenyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 22586744
N-(3-fluoro-4-methylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53096403
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053347
(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070304

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 92731798) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is CCCc1cc([C@@H]2CCCN2C(=O)c2c(C)noc2C)no1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DLAZNYOSBOQOLV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-6-12-9-13(18-22-12)14-7-5-8-19(14)16(20)15-10(2)17-21-11(15)3/h9,14H,4-8H2,1-3H3/t14-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 303.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92731798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).