5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole

C12H14N4O — CID 39998429

IUPAC5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2c2ncccn2)no1
InChIInChI=1S/C12H14N4O/c1-9-8-10(15-17-9)11-4-2-7-16(11)12-13-5-3-6-14-12/h3,5-6,8,11H,2,4,7H2,1H3/t11-/m0/s1
InChIKeyGYIATOUNOCIWGU-NSHDSACASA-N
MW230.27 g/mol
LogP2.11
Rot. Bonds2

About 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole

5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole (PubChem CID 39998429) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole
PubChem CID39998429
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2c2ncccn2)no1
InChIInChI=1S/C12H14N4O/c1-9-8-10(15-17-9)11-4-2-7-16(11)12-13-5-3-6-14-12/h3,5-6,8,11H,2,4,7H2,1H3/t11-/m0/s1
InChIKeyGYIATOUNOCIWGU-NSHDSACASA-N
XLogP2.11
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94040955
5-methyl-3-[(2R)-1-quinazolin-4-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998438
N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124986346
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95820566
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine
CID 125012503
2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
CID 95838711
3-[2-methyl-6-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256794
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 99932525
2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole (CID 39998429) is 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole is Cc1cc([C@@H]2CCCN2c2ncccn2)no1.
What is the InChIKey of 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is GYIATOUNOCIWGU-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-8-10(15-17-9)11-4-2-7-16(11)12-13-5-3-6-14-12/h3,5-6,8,11H,2,4,7H2,1H3/t11-/m0/s1.
What are the key properties of 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole?
5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 230.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 39998429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).