N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide

C21H28N2O3 — CID 110631445

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCC3(CO)CCCCC3)c(C)o2)cc1
InChIInChI=1S/C21H28N2O3/c1-15-6-8-17(9-7-15)20-23-18(16(2)26-20)12-19(25)22-13-21(14-24)10-4-3-5-11-21/h6-9,24H,3-5,10-14H2,1-2H3,(H,22,25)
InChIKeyNEACSWHSKVKXSP-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.56
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110631445) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID110631445
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCC3(CO)CCCCC3)c(C)o2)cc1
InChIInChI=1S/C21H28N2O3/c1-15-6-8-17(9-7-15)20-23-18(16(2)26-20)12-19(25)22-13-21(14-24)10-4-3-5-11-21/h6-9,24H,3-5,10-14H2,1-2H3,(H,22,25)
InChIKeyNEACSWHSKVKXSP-UHFFFAOYSA-N
XLogP3.56
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide with MolForge

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Related Compounds

N-(cyclopentylmethyl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110627528
1-[[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544803
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 51336690
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111464140
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110625253
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110631445) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)NCC3(CO)CCCCC3)c(C)o2)cc1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is NEACSWHSKVKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-6-8-17(9-7-15)20-23-18(16(2)26-20)12-19(25)22-13-21(14-24)10-4-3-5-11-21/h6-9,24H,3-5,10-14H2,1-2H3,(H,22,25).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110631445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).