(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C24H30N4O3 — CID 124992207

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)[nH]n2)o1
InChIInChI=1S/C24H30N4O3/c1-24(2,3)21-14-18(26-27-21)23(29)28-12-8-7-10-19(28)22-25-15-17(31-22)13-16-9-5-6-11-20(16)30-4/h5-6,9,11,14-15,19H,7-8,10,12-13H2,1-4H3,(H,26,27)/t19-/m1/s1
InChIKeyPOWBRHZGTWORDK-LJQANCHMSA-N
MW422.53 g/mol
LogP4.66
Rot. Bonds5

About (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 124992207) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID124992207
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)[nH]n2)o1
InChIInChI=1S/C24H30N4O3/c1-24(2,3)21-14-18(26-27-21)23(29)28-12-8-7-10-19(28)22-25-15-17(31-22)13-16-9-5-6-11-20(16)30-4/h5-6,9,11,14-15,19H,7-8,10,12-13H2,1-4H3,(H,26,27)/t19-/m1/s1
InChIKeyPOWBRHZGTWORDK-LJQANCHMSA-N
XLogP4.66
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 110120684
1H-indazol-3-yl-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124984508
1H-indazol-3-yl-[2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110121349
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 129453951
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125023310
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967922
1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 129454193
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 125009713
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129457982
(6-fluoro-1H-indol-2-yl)-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124958984
1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110121378
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 129453418

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 124992207) is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)[nH]n2)o1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is POWBRHZGTWORDK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-24(2,3)21-14-18(26-27-21)23(29)28-12-8-7-10-19(28)22-25-15-17(31-22)13-16-9-5-6-11-20(16)30-4/h5-6,9,11,14-15,19H,7-8,10,12-13H2,1-4H3,(H,26,27)/t19-/m1/s1.
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 124992207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).