[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone

C21H26N6O3 — CID 121378832

IUPAC[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone
SMILESCc1oc(C[C@H]2CCCCN2C(=O)c2nccnc2-n2cccn2)nc1C(C)(C)O
InChIInChI=1S/C21H26N6O3/c1-14-18(21(2,3)29)25-16(30-14)13-15-7-4-5-11-26(15)20(28)17-19(23-10-9-22-17)27-12-6-8-24-27/h6,8-10,12,15,29H,4-5,7,11,13H2,1-3H3/t15-/m1/s1
InChIKeyDIXXXNKVVIQHGC-OAHLLOKOSA-N
MW410.48 g/mol
LogP2.42
Rot. Bonds5

About [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone

[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone (PubChem CID 121378832) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone
PubChem CID121378832
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone
SMILESCc1oc(C[C@H]2CCCCN2C(=O)c2nccnc2-n2cccn2)nc1C(C)(C)O
InChIInChI=1S/C21H26N6O3/c1-14-18(21(2,3)29)25-16(30-14)13-15-7-4-5-11-26(15)20(28)17-19(23-10-9-22-17)27-12-6-8-24-27/h6,8-10,12,15,29H,4-5,7,11,13H2,1-3H3/t15-/m1/s1
InChIKeyDIXXXNKVVIQHGC-OAHLLOKOSA-N
XLogP2.42
TPSA110.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone with MolForge

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Related Compounds

[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone
CID 121378814
[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 121378807
[2-(2,2-difluoroethyl)phenyl]-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
CID 121378864
(2-cyclopropyl-6-methoxy-3-pyridinyl)-[2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
CID 121378819
3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 53270959
3-[(2R)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]propanoic acid
CID 125118170
[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 121427945
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 107517068

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone?
The IUPAC name of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone (CID 121378832) is [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone?
The canonical SMILES for [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone is Cc1oc(C[C@H]2CCCCN2C(=O)c2nccnc2-n2cccn2)nc1C(C)(C)O.
What is the InChIKey of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone?
The InChIKey is DIXXXNKVVIQHGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14-18(21(2,3)29)25-16(30-14)13-15-7-4-5-11-26(15)20(28)17-19(23-10-9-22-17)27-12-6-8-24-27/h6,8-10,12,15,29H,4-5,7,11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone?
[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone has a molecular weight of 410.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(3-pyrazol-1-ylpyrazin-2-yl)methanone is sourced from PubChem (CID 121378832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).