2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

C23H25FN4O2 — CID 26742933

IUPAC2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1cccnc1
InChIInChI=1S/C23H25FN4O2/c24-20-5-3-17(4-6-20)22-12-21(28-30-22)10-19-15-26-9-7-18(19)11-23(29)27-14-16-2-1-8-25-13-16/h1-6,8,12-13,18-19,26H,7,9-11,14-15H2,(H,27,29)/t18-,19-/m0/s1
InChIKeyRQEAMVJNRZROQK-OALUTQOASA-N
MW408.48 g/mol
LogP3.35
Rot. Bonds7

About 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 26742933) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID26742933
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1cccnc1
InChIInChI=1S/C23H25FN4O2/c24-20-5-3-17(4-6-20)22-12-21(28-30-22)10-19-15-26-9-7-18(19)11-23(29)27-14-16-2-1-8-25-13-16/h1-6,8,12-13,18-19,26H,7,9-11,14-15H2,(H,27,29)/t18-,19-/m0/s1
InChIKeyRQEAMVJNRZROQK-OALUTQOASA-N
XLogP3.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrolopyridine, 17
CID 135556284
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CID 141678041
5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
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CID 973868
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CID 10140239
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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 26742933) is 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1cccnc1.
What is the InChIKey of 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RQEAMVJNRZROQK-OALUTQOASA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-20-5-3-17(4-6-20)22-12-21(28-30-22)10-19-15-26-9-7-18(19)11-23(29)27-14-16-2-1-8-25-13-16/h1-6,8,12-13,18-19,26H,7,9-11,14-15H2,(H,27,29)/t18-,19-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 26742933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).