3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole

C14H18N4O — CID 124946763

IUPAC3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole
SMILESCc1nc(-c2c(C)noc2C)cc([C@H]2CCCN2)n1
InChIInChI=1S/C14H18N4O/c1-8-14(9(2)19-18-8)13-7-12(16-10(3)17-13)11-5-4-6-15-11/h7,11,15H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyCAOIEZDQHCLJRV-LLVKDONJSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds2

About 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole

3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole (PubChem CID 124946763) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole
PubChem CID124946763
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole
SMILESCc1nc(-c2c(C)noc2C)cc([C@H]2CCCN2)n1
InChIInChI=1S/C14H18N4O/c1-8-14(9(2)19-18-8)13-7-12(16-10(3)17-13)11-5-4-6-15-11/h7,11,15H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyCAOIEZDQHCLJRV-LLVKDONJSA-N
XLogP2.48
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
CID 124978642
N-cyclopentyl-2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 95846278
3,5-dimethyl-4-[2-methyl-6-[1-[(4S)-oxepan-4-yl]piperidin-4-yl]pyrimidin-4-yl]-1,2-oxazole
CID 125017551
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445
5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 42575806
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110135353
3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 68838963
5-methyl-N-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95842001
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 82417113
[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 110129332
2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114269459
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 110135482

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole (CID 124946763) is 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole is Cc1nc(-c2c(C)noc2C)cc([C@H]2CCCN2)n1.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole?
The InChIKey is CAOIEZDQHCLJRV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-14(9(2)19-18-8)13-7-12(16-10(3)17-13)11-5-4-6-15-11/h7,11,15H,4-6H2,1-3H3/t11-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole?
3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole has a molecular weight of 258.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole is sourced from PubChem (CID 124946763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).