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

C21H29N3O2 — CID 87016543

IUPAC2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESCc1cc(CN(C)CC(=O)NCC2(c3ccccc3)CCCCC2)no1
InChIInChI=1S/C21H29N3O2/c1-17-13-19(23-26-17)14-24(2)15-20(25)22-16-21(11-7-4-8-12-21)18-9-5-3-6-10-18/h3,5-6,9-10,13H,4,7-8,11-12,14-16H2,1-2H3,(H,22,25)
InChIKeyFMYIYXKDKJJXNO-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.43
Rot. Bonds7

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

2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide (PubChem CID 87016543) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide
PubChem CID87016543
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESCc1cc(CN(C)CC(=O)NCC2(c3ccccc3)CCCCC2)no1
InChIInChI=1S/C21H29N3O2/c1-17-13-19(23-26-17)14-24(2)15-20(25)22-16-21(11-7-4-8-12-21)18-9-5-3-6-10-18/h3,5-6,9-10,13H,4,7-8,11-12,14-16H2,1-2H3,(H,22,25)
InChIKeyFMYIYXKDKJJXNO-UHFFFAOYSA-N
XLogP3.43
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(phenylcarbamoyl)acetamide
CID 36968374
2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487
N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
CID 87016564
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide
CID 43047504
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 32545358
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38878190
N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
CID 87034810
N-(2,5-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 9321819
N-(2,3-dichlorophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 38877263

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide (CID 87016543) is 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide is Cc1cc(CN(C)CC(=O)NCC2(c3ccccc3)CCCCC2)no1.
What is the InChIKey of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The InChIKey is FMYIYXKDKJJXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-17-13-19(23-26-17)14-24(2)15-20(25)22-16-21(11-7-4-8-12-21)18-9-5-3-6-10-18/h3,5-6,9-10,13H,4,7-8,11-12,14-16H2,1-2H3,(H,22,25).
What are the key properties of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide?
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 87016543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).