2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

C19H25N3O2 — CID 9346296

IUPAC2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CN3C[C@@H](C)C[C@H](C)C3)on2)cc1
InChIInChI=1S/C19H25N3O2/c1-13-4-6-16(7-5-13)17-9-19(24-21-17)20-18(23)12-22-10-14(2)8-15(3)11-22/h4-7,9,14-15H,8,10-12H2,1-3H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyCFIHAKOTKWZNAC-GJZGRUSLSA-N
MW327.43 g/mol
LogP3.57
Rot. Bonds4

About 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 9346296) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID9346296
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CN3C[C@@H](C)C[C@H](C)C3)on2)cc1
InChIInChI=1S/C19H25N3O2/c1-13-4-6-16(7-5-13)17-9-19(24-21-17)20-18(23)12-22-10-14(2)8-15(3)11-22/h4-7,9,14-15H,8,10-12H2,1-3H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyCFIHAKOTKWZNAC-GJZGRUSLSA-N
XLogP3.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 9346121
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9361796
ethyl (3S)-1-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 9346811
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346578
(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 46427191
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 9347048
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9348036
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 17441509
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 9205498
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7993306
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (CID 9346296) is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is Cc1ccc(-c2cc(NC(=O)CN3C[C@@H](C)C[C@H](C)C3)on2)cc1.
What is the InChIKey of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is CFIHAKOTKWZNAC-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-4-6-16(7-5-13)17-9-19(24-21-17)20-18(23)12-22-10-14(2)8-15(3)11-22/h4-7,9,14-15H,8,10-12H2,1-3H3,(H,20,23)/t14-,15-/m0/s1.
What are the key properties of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 9346296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).