[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C19H22N6O2 — CID 125018437

IUPAC[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1nc(-c2c(C)noc2C)cc([C@@H]2CCCN2C(=O)c2ccn(C)n2)n1
InChIInChI=1S/C19H22N6O2/c1-11-18(12(2)27-23-11)16-10-15(20-13(3)21-16)17-6-5-8-25(17)19(26)14-7-9-24(4)22-14/h7,9-10,17H,5-6,8H2,1-4H3/t17-/m0/s1
InChIKeyXOTFGCYBFDOXAQ-KRWDZBQOSA-N
MW366.43 g/mol
LogP2.77
Rot. Bonds3

About [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 125018437) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID125018437
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1nc(-c2c(C)noc2C)cc([C@@H]2CCCN2C(=O)c2ccn(C)n2)n1
InChIInChI=1S/C19H22N6O2/c1-11-18(12(2)27-23-11)16-10-15(20-13(3)21-16)17-6-5-8-25(17)19(26)14-7-9-24(4)22-14/h7,9-10,17H,5-6,8H2,1-4H3/t17-/m0/s1
InChIKeyXOTFGCYBFDOXAQ-KRWDZBQOSA-N
XLogP2.77
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110145880
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 110135482
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110129280
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110135353
[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110135413
(1-methylpyrazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044057
[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95824426
[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110159074
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110129411
(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124998744
[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 124969712

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 125018437) is [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cc1nc(-c2c(C)noc2C)cc([C@@H]2CCCN2C(=O)c2ccn(C)n2)n1.
What is the InChIKey of [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is XOTFGCYBFDOXAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11-18(12(2)27-23-11)16-10-15(20-13(3)21-16)17-6-5-8-25(17)19(26)14-7-9-24(4)22-14/h7,9-10,17H,5-6,8H2,1-4H3/t17-/m0/s1.
What are the key properties of [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 366.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 125018437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).