(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C17H20N2O4 — CID 92731482

IUPAC(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1cc(C)no1
InChIInChI=1S/C17H20N2O4/c1-11-10-15(23-18-11)12-6-5-9-19(12)17(20)16-13(21-2)7-4-8-14(16)22-3/h4,7-8,10,12H,5-6,9H2,1-3H3/t12-/m1/s1
InChIKeyUHAZNRLUTXNEFQ-GFCCVEGCSA-N
MW316.36 g/mol
LogP2.98
Rot. Bonds4

About (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 92731482) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID92731482
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1cc(C)no1
InChIInChI=1S/C17H20N2O4/c1-11-10-15(23-18-11)12-6-5-9-19(12)17(20)16-13(21-2)7-4-8-14(16)22-3/h4,7-8,10,12H,5-6,9H2,1-3H3/t12-/m1/s1
InChIKeyUHAZNRLUTXNEFQ-GFCCVEGCSA-N
XLogP2.98
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 95296485
(2,6-dimethoxyphenyl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893574
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92893460
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139300
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139306
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809663
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070315
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 92731482) is (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1cc(C)no1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UHAZNRLUTXNEFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-10-15(23-18-11)12-6-5-9-19(12)17(20)16-13(21-2)7-4-8-14(16)22-3/h4,7-8,10,12H,5-6,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 316.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92731482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).