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

C19H20N4O3 — CID 110129252

IUPAC[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(-c3c(C)noc3C)cn2)on1
InChIInChI=1S/C19H20N4O3/c1-11-9-17(26-21-11)19(24)23-8-4-5-16(23)15-7-6-14(10-20-15)18-12(2)22-25-13(18)3/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyLRTHCOVSYIABBI-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.63
Rot. Bonds3

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

[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 110129252) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID110129252
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(-c3c(C)noc3C)cn2)on1
InChIInChI=1S/C19H20N4O3/c1-11-9-17(26-21-11)19(24)23-8-4-5-16(23)15-7-6-14(10-20-15)18-12(2)22-25-13(18)3/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyLRTHCOVSYIABBI-UHFFFAOYSA-N
XLogP3.63
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124998744
[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]-(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-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole
CID 125020312
4-[6-[(2R)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997798
[3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159035
4-[6-[(2S)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997797
[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 125020232
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 110264458
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 110264459
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793

Frequently Asked Questions

What is the IUPAC name of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [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) is [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CCCC2c2ccc(-c3c(C)noc3C)cn2)on1.
What is the InChIKey of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is LRTHCOVSYIABBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-9-17(26-21-11)19(24)23-8-4-5-16(23)15-7-6-14(10-20-15)18-12(2)22-25-13(18)3/h6-7,9-10,16H,4-5,8H2,1-3H3.
What are the key properties of [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 352.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 110129252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).