N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

C19H24N2O2S — CID 71609804

IUPACN-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCOc1ccsc1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C19H24N2O2S/c1-22-16-2-3-24-18(16)17-7-15(21-23-17)11-20-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,20H,4-6,8-11H2,1H3
InChIKeyRUCZZSAXDOQHFT-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.47
Rot. Bonds5

About N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (PubChem CID 71609804) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
PubChem CID71609804
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCOc1ccsc1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C19H24N2O2S/c1-22-16-2-3-24-18(16)17-7-15(21-23-17)11-20-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,20H,4-6,8-11H2,1H3
InChIKeyRUCZZSAXDOQHFT-UHFFFAOYSA-N
XLogP4.47
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (CID 71609804) is N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is COc1ccsc1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The InChIKey is RUCZZSAXDOQHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-22-16-2-3-24-18(16)17-7-15(21-23-17)11-20-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,20H,4-6,8-11H2,1H3.
What are the key properties of N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 344.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxythiophen-2-yl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 71609804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).