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

C19H24N2O3S — CID 127027193

IUPAC3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol
SMILESCOc1ccsc1-c1cc(CNC23CC4CC(CC(O)(C4)C2)C3)no1
InChIInChI=1S/C19H24N2O3S/c1-23-15-2-3-25-17(15)16-5-14(21-24-16)10-20-18-6-12-4-13(7-18)9-19(22,8-12)11-18/h2-3,5,12-13,20,22H,4,6-11H2,1H3
InChIKeyQYPJFONZYNHETK-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.59
Rot. Bonds5

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

3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol (PubChem CID 127027193) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol.

Molecular Properties

Compound Name3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol
PubChem CID127027193
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol
SMILESCOc1ccsc1-c1cc(CNC23CC4CC(CC(O)(C4)C2)C3)no1
InChIInChI=1S/C19H24N2O3S/c1-23-15-2-3-25-17(15)16-5-14(21-24-16)10-20-18-6-12-4-13(7-18)9-19(22,8-12)11-18/h2-3,5,12-13,20,22H,4,6-11H2,1H3
InChIKeyQYPJFONZYNHETK-UHFFFAOYSA-N
XLogP3.59
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol?
The IUPAC name of 3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol (CID 127027193) is 3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol.
What is the SMILES notation for 3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol?
The canonical SMILES for 3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol is COc1ccsc1-c1cc(CNC23CC4CC(CC(O)(C4)C2)C3)no1.
What is the InChIKey of 3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol?
The InChIKey is QYPJFONZYNHETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-23-15-2-3-25-17(15)16-5-14(21-24-16)10-20-18-6-12-4-13(7-18)9-19(22,8-12)11-18/h2-3,5,12-13,20,22H,4,6-11H2,1H3.
What are the key properties of 3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol?
3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol has a molecular weight of 360.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methylamino]adamantan-1-ol is sourced from PubChem (CID 127027193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).