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

C24H33N3O2 — CID 162630547

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C24H33N3O2/c1-18-22(26-24(29-18)20-10-4-2-5-11-20)16-23(28)25-21-12-8-9-19(15-21)17-27-13-6-3-7-14-27/h2,4-5,10-11,19,21H,3,6-9,12-17H2,1H3,(H,25,28)/t19-,21+/m1/s1
InChIKeyHMWVBJRBFSCGGI-CTNGQTDRSA-N
MW395.55 g/mol
LogP4.35
Rot. Bonds6

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

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 162630547) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide
PubChem CID162630547
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCC[C@@H](CN2CCCCC2)C1
InChIInChI=1S/C24H33N3O2/c1-18-22(26-24(29-18)20-10-4-2-5-11-20)16-23(28)25-21-12-8-9-19(15-21)17-27-13-6-3-7-14-27/h2,4-5,10-11,19,21H,3,6-9,12-17H2,1H3,(H,25,28)/t19-,21+/m1/s1
InChIKeyHMWVBJRBFSCGGI-CTNGQTDRSA-N
XLogP4.35
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide with MolForge

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Related Compounds

4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229706
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32529829
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55950520
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111464140
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 124691943
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
N-cyclohexyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110647492
N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110649225
1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 138381218
N-(cyclopentylmethyl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110627528
4-[[3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxymethyl]cyclohexyl]amino]-4-oxobutanoic acid
CID 11604397

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide (CID 162630547) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCC[C@@H](CN2CCCCC2)C1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is HMWVBJRBFSCGGI-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-18-22(26-24(29-18)20-10-4-2-5-11-20)16-23(28)25-21-12-8-9-19(15-21)17-27-13-6-3-7-14-27/h2,4-5,10-11,19,21H,3,6-9,12-17H2,1H3,(H,25,28)/t19-,21+/m1/s1.
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(1S,3R)-3-(piperidin-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 162630547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).