5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol

C18H22N2O2S — CID 127026871

IUPAC5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol
SMILESOC1C2CC3CC1CC(NCc1cc(-c4cccs4)on1)(C3)C2
InChIInChI=1S/C18H22N2O2S/c21-17-12-4-11-5-13(17)9-18(7-11,8-12)19-10-14-6-15(22-20-14)16-2-1-3-23-16/h1-3,6,11-13,17,19,21H,4-5,7-10H2
InChIKeyZDXODBZQBOCZBE-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.43
Rot. Bonds4

About 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol

5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol (PubChem CID 127026871) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol.

Molecular Properties

Compound Name5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol
PubChem CID127026871
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol
SMILESOC1C2CC3CC1CC(NCc1cc(-c4cccs4)on1)(C3)C2
InChIInChI=1S/C18H22N2O2S/c21-17-12-4-11-5-13(17)9-18(7-11,8-12)19-10-14-6-15(22-20-14)16-2-1-3-23-16/h1-3,6,11-13,17,19,21H,4-5,7-10H2
InChIKeyZDXODBZQBOCZBE-UHFFFAOYSA-N
XLogP3.43
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 70680222
N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
CID 71609804
3-[[5-(3-Methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol
CID 127027193
3-[(5-Thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-1-ol
CID 127028727
N-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
CID 132606881
(3s,5s,7s)-N-{[5-(Thiophen-2-Yl)-1,2-Oxazol-3-Yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-Aminium
CID 70680221
5-[(5-Thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantane-1,3-diol
CID 127027194
N-[[5-(4-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
CID 71609801
N-[(5-thiophen-3-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 89613145
N-[[5-(2-methylsulfanylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
CID 89615702
2-Methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol
CID 127025381
5-[(5-Thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-one
CID 127026870

Frequently Asked Questions

What is the IUPAC name of 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol?
The IUPAC name of 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol (CID 127026871) is 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol.
What is the SMILES notation for 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol?
The canonical SMILES for 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol is OC1C2CC3CC1CC(NCc1cc(-c4cccs4)on1)(C3)C2.
What is the InChIKey of 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol?
The InChIKey is ZDXODBZQBOCZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-17-12-4-11-5-13(17)9-18(7-11,8-12)19-10-14-6-15(22-20-14)16-2-1-3-23-16/h1-3,6,11-13,17,19,21H,4-5,7-10H2.
What are the key properties of 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol?
5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol has a molecular weight of 330.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol is sourced from PubChem (CID 127026871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).