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

C19H24N2O2S — CID 127025381

IUPAC2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol
SMILESCC1(O)C2CC3CC1CC(NCc1cc(-c4cccs4)on1)(C3)C2
InChIInChI=1S/C19H24N2O2S/c1-18(22)13-5-12-6-14(18)10-19(8-12,9-13)20-11-15-7-16(23-21-15)17-3-2-4-24-17/h2-4,7,12-14,20,22H,5-6,8-11H2,1H3
InChIKeyKCXBDCFRTSSVCD-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.82
Rot. Bonds4

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

2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol (PubChem CID 127025381) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol.

Molecular Properties

Compound Name2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol
PubChem CID127025381
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol
SMILESCC1(O)C2CC3CC1CC(NCc1cc(-c4cccs4)on1)(C3)C2
InChIInChI=1S/C19H24N2O2S/c1-18(22)13-5-12-6-14(18)10-19(8-12,9-13)20-11-15-7-16(23-21-15)17-3-2-4-24-17/h2-4,7,12-14,20,22H,5-6,8-11H2,1H3
InChIKeyKCXBDCFRTSSVCD-UHFFFAOYSA-N
XLogP3.82
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol?
The IUPAC name of 2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol (CID 127025381) is 2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol.
What is the SMILES notation for 2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol?
The canonical SMILES for 2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol is CC1(O)C2CC3CC1CC(NCc1cc(-c4cccs4)on1)(C3)C2.
What is the InChIKey of 2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol?
The InChIKey is KCXBDCFRTSSVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-18(22)13-5-12-6-14(18)10-19(8-12,9-13)20-11-15-7-16(23-21-15)17-3-2-4-24-17/h2-4,7,12-14,20,22H,5-6,8-11H2,1H3.
What are the key properties of 2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol?
2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol has a molecular weight of 344.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]adamantan-2-ol is sourced from PubChem (CID 127025381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).