N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide

C20H26N2O3 — CID 111425792

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1nc(CCC(=O)NCC(O)C2CCCC2)oc1-c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-14-20(16-9-3-2-4-10-16)25-19(22-14)12-11-18(24)21-13-17(23)15-7-5-6-8-15/h2-4,9-10,15,17,23H,5-8,11-13H2,1H3,(H,21,24)
InChIKeyZSGBSSHTCVEOBU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds7

About N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 111425792) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID111425792
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1nc(CCC(=O)NCC(O)C2CCCC2)oc1-c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-14-20(16-9-3-2-4-10-16)25-19(22-14)12-11-18(24)21-13-17(23)15-7-5-6-8-15/h2-4,9-10,15,17,23H,5-8,11-13H2,1H3,(H,21,24)
InChIKeyZSGBSSHTCVEOBU-UHFFFAOYSA-N
XLogP3.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119996718
N-(2-amino-1-cyclopropylethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 119614530
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230028
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 119451162
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119526054
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
CID 120576879
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446392
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide
CID 166280168
3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512168
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide (CID 111425792) is N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide is Cc1nc(CCC(=O)NCC(O)C2CCCC2)oc1-c1ccccc1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is ZSGBSSHTCVEOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-20(16-9-3-2-4-10-16)25-19(22-14)12-11-18(24)21-13-17(23)15-7-5-6-8-15/h2-4,9-10,15,17,23H,5-8,11-13H2,1H3,(H,21,24).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 111425792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).