2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H22N2O2 — CID 2874506

IUPAC2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C16H22N2O2/c1-10-2-14(18-20-10)17-15(19)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h2,11-13H,3-9H2,1H3,(H,17,18,19)
InChIKeyKKMPIRLBLGKAIC-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.53
Rot. Bonds3

About 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2874506) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2874506
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C16H22N2O2/c1-10-2-14(18-20-10)17-15(19)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h2,11-13H,3-9H2,1H3,(H,17,18,19)
InChIKeyKKMPIRLBLGKAIC-UHFFFAOYSA-N
XLogP3.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(1-adamantyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]but-2-enamide
CID 97456500
2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 108568028
2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
CID 3436472
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297738
2-(1-adamantyl)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 2958689
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]adamantane-2-carboxamide
CID 51267576
2-[1-adamantylcarbamoyl(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3371998
ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate
CID 108755461
N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
CID 110865536
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2874506) is 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KKMPIRLBLGKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-2-14(18-20-10)17-15(19)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h2,11-13H,3-9H2,1H3,(H,17,18,19).
What are the key properties of 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2874506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).