(3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

C16H22N2O2 — CID 99632854

IUPAC(3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)C[C@@H](NCc2nc3ccccc3o2)C(C)(C)O1
InChIInChI=1S/C16H22N2O2/c1-15(2)9-13(16(3,4)20-15)17-10-14-18-11-7-5-6-8-12(11)19-14/h5-8,13,17H,9-10H2,1-4H3/t13-/m1/s1
InChIKeyYSIIFTKVEBOYJF-CYBMUJFWSA-N
MW274.36 g/mol
LogP3.26
Rot. Bonds3

About (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine

(3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 99632854) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID99632854
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)C[C@@H](NCc2nc3ccccc3o2)C(C)(C)O1
InChIInChI=1S/C16H22N2O2/c1-15(2)9-13(16(3,4)20-15)17-10-14-18-11-7-5-6-8-12(11)19-14/h5-8,13,17H,9-10H2,1-4H3/t13-/m1/s1
InChIKeyYSIIFTKVEBOYJF-CYBMUJFWSA-N
XLogP3.26
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

2,2,5,5-tetramethyl-N-(naphthalen-1-ylmethyl)oxolan-3-amine
CID 79911054
N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915639
2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003662
2-ethyl-1,3-benzoxazole
CID 23239
2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66478066
methyl N-(1,3-benzoxazol-2-ylmethyl)carbamodithioate
CID 71371041
(2S,3S)-3-(1,3-benzoxazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70483071
N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79928164
2-(1,3-benzoxazol-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475965
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
2-(1,3-benzoxazol-2-ylmethylamino)ethyl methanesulfonate
CID 86637355
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 99632854) is (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)C[C@@H](NCc2nc3ccccc3o2)C(C)(C)O1.
What is the InChIKey of (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is YSIIFTKVEBOYJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(2)9-13(16(3,4)20-15)17-10-14-18-11-7-5-6-8-12(11)19-14/h5-8,13,17H,9-10H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine?
(3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 274.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-benzoxazol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 99632854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).