4-(1-adamantyl)-2-methyl-1,3-oxazole

C14H19NO — CID 2836021

IUPAC4-(1-adamantyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)co1
InChIInChI=1S/C14H19NO/c1-9-15-13(8-16-9)14-5-10-2-11(6-14)4-12(3-10)7-14/h8,10-12H,2-7H2,1H3
InChIKeyFTTNFYSXKRFCCW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.45
Rot. Bonds1

About 4-(1-adamantyl)-2-methyl-1,3-oxazole

4-(1-adamantyl)-2-methyl-1,3-oxazole (PubChem CID 2836021) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-adamantyl)-2-methyl-1,3-oxazole
PubChem CID2836021
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(1-adamantyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C23CC4CC(CC(C4)C2)C3)co1
InChIInChI=1S/C14H19NO/c1-9-15-13(8-16-9)14-5-10-2-11(6-14)4-12(3-10)7-14/h8,10-12H,2-7H2,1H3
InChIKeyFTTNFYSXKRFCCW-UHFFFAOYSA-N
XLogP3.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-6-methylquinoline
CID 15992790
1-(2-methyl-1,3-oxazol-4-yl)cyclopentan-1-amine
CID 45378214
4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70728771
4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride
CID 44657953
6-(1-adamantyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 56692613
2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine
CID 67292473
2-methyl-1,3-oxazol-4-ol
CID 54325138
2-(1-adamantyl)quinoline
CID 3122842
4-(1-adamantyl)-5-methyl-1,3-thiazol-2-amine
CID 2836058
5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole
CID 628141
2-(1-adamantyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475637
2,6-bis(1-adamantyl)-4-methylphenol
CID 4686402

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(1-adamantyl)-2-methyl-1,3-oxazole (CID 2836021) is 4-(1-adamantyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(1-adamantyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(1-adamantyl)-2-methyl-1,3-oxazole is Cc1nc(C23CC4CC(CC(C4)C2)C3)co1.
What is the InChIKey of 4-(1-adamantyl)-2-methyl-1,3-oxazole?
The InChIKey is FTTNFYSXKRFCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-15-13(8-16-9)14-5-10-2-11(6-14)4-12(3-10)7-14/h8,10-12H,2-7H2,1H3.
What are the key properties of 4-(1-adamantyl)-2-methyl-1,3-oxazole?
4-(1-adamantyl)-2-methyl-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 2836021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).