[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

C23H28N4O3 — CID 125009713

IUPAC[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCOc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2ccnn2C(C)C)o1
InChIInChI=1S/C23H28N4O3/c1-16(2)27-20(11-12-25-27)23(28)26-13-7-6-9-19(26)22-24-15-18(30-22)14-17-8-4-5-10-21(17)29-3/h4-5,8,10-12,15-16,19H,6-7,9,13-14H2,1-3H3/t19-/m0/s1
InChIKeyVEHOXGVVISKFQE-IBGZPJMESA-N
MW408.50 g/mol
LogP4.42
Rot. Bonds6

About [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 125009713) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID125009713
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCOc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2ccnn2C(C)C)o1
InChIInChI=1S/C23H28N4O3/c1-16(2)27-20(11-12-25-27)23(28)26-13-7-6-9-19(26)22-24-15-18(30-22)14-17-8-4-5-10-21(17)29-3/h4-5,8,10-12,15-16,19H,6-7,9,13-14H2,1-3H3/t19-/m0/s1
InChIKeyVEHOXGVVISKFQE-IBGZPJMESA-N
XLogP4.42
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967922
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124981728
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125023310
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]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 124995105
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129457982
1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110121378
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
1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 125010412
2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124953921
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124992207

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (CID 125009713) is [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2ccnn2C(C)C)o1.
What is the InChIKey of [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is VEHOXGVVISKFQE-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16(2)27-20(11-12-25-27)23(28)26-13-7-6-9-19(26)22-24-15-18(30-22)14-17-8-4-5-10-21(17)29-3/h4-5,8,10-12,15-16,19H,6-7,9,13-14H2,1-3H3/t19-/m0/s1.
What are the key properties of [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 408.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 125009713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).