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

C20H21N5O2 — CID 124998744

IUPAC[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@H]2c2ccc(-c3c(C)noc3C)cn2)cn1
InChIInChI=1S/C20H21N5O2/c1-12-9-22-17(11-21-12)20(26)25-8-4-5-18(25)16-7-6-15(10-23-16)19-13(2)24-27-14(19)3/h6-7,9-11,18H,4-5,8H2,1-3H3/t18-/m0/s1
InChIKeyRJVXHGIPXLRLMN-SFHVURJKSA-N
MW363.42 g/mol
LogP3.43
Rot. Bonds3

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

[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 124998744) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID124998744
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@H]2c2ccc(-c3c(C)noc3C)cn2)cn1
InChIInChI=1S/C20H21N5O2/c1-12-9-22-17(11-21-12)20(26)25-8-4-5-18(25)16-7-6-15(10-23-16)19-13(2)24-27-14(19)3/h6-7,9-11,18H,4-5,8H2,1-3H3/t18-/m0/s1
InChIKeyRJVXHGIPXLRLMN-SFHVURJKSA-N
XLogP3.43
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110129280
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110129252
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 110135423
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone
CID 124986505
[3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159035
3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole
CID 125020312
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 125020232
4-[6-[(2R)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997798
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 110264459
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 110264458
4-[6-[(2S)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997797

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 124998744) is [(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC[C@H]2c2ccc(-c3c(C)noc3C)cn2)cn1.
What is the InChIKey of [(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is RJVXHGIPXLRLMN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-9-22-17(11-21-12)20(26)25-8-4-5-18(25)16-7-6-15(10-23-16)19-13(2)24-27-14(19)3/h6-7,9-11,18H,4-5,8H2,1-3H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 124998744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).