2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C16H27N3O3 — CID 111543496

IUPAC2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNC2(CO)CC(C)CC(C)(C)C2)on1
InChIInChI=1S/C16H27N3O3/c1-11-6-15(3,4)9-16(7-11,10-20)17-8-13(21)18-14-5-12(2)19-22-14/h5,11,17,20H,6-10H2,1-4H3,(H,18,21)
InChIKeyALJWHNLBPDSONB-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.09
Rot. Bonds5

About 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 111543496) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID111543496
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNC2(CO)CC(C)CC(C)(C)C2)on1
InChIInChI=1S/C16H27N3O3/c1-11-6-15(3,4)9-16(7-11,10-20)17-8-13(21)18-14-5-12(2)19-22-14/h5,11,17,20H,6-10H2,1-4H3,(H,18,21)
InChIKeyALJWHNLBPDSONB-UHFFFAOYSA-N
XLogP2.09
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide
CID 96567193
3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide
CID 111757470
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
2-(3,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119924199
2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 65486610
2-[cyclohexyl(methyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154358
N-(3-methyl-1,2-oxazol-5-yl)-2-(2,2,6-trimethylmorpholin-4-yl)acetamide
CID 48633243
3-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 97022779
2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 65487181
4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 81071258
2-(1-aminocyclopentyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64683322
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 55151558

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 111543496) is 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CNC2(CO)CC(C)CC(C)(C)C2)on1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is ALJWHNLBPDSONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11-6-15(3,4)9-16(7-11,10-20)17-8-13(21)18-14-5-12(2)19-22-14/h5,11,17,20H,6-10H2,1-4H3,(H,18,21).
What are the key properties of 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 111543496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).