N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine

C15H20N2O2 — CID 116870608

IUPACN-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine
SMILESCc1nc2cc(C3(CNC(C)C)COC3)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-10(2)16-7-15(8-18-9-15)12-4-5-14-13(6-12)17-11(3)19-14/h4-6,10,16H,7-9H2,1-3H3
InChIKeyXJZLRSGKFVCJDT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.40
Rot. Bonds4

About N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine

N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine (PubChem CID 116870608) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine
PubChem CID116870608
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine
SMILESCc1nc2cc(C3(CNC(C)C)COC3)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-10(2)16-7-15(8-18-9-15)12-4-5-14-13(6-12)17-11(3)19-14/h4-6,10,16H,7-9H2,1-3H3
InChIKeyXJZLRSGKFVCJDT-UHFFFAOYSA-N
XLogP2.40
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]acetic acid
CID 116874358
N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870615
[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116930397
[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116959513
3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116930146
N-[[4-(3,4-dimethylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 55131240
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117434056
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
CID 116947497
2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772
1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869292
N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine
CID 116870622

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine (CID 116870608) is N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine is Cc1nc2cc(C3(CNC(C)C)COC3)ccc2o1.
What is the InChIKey of N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine?
The InChIKey is XJZLRSGKFVCJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)16-7-15(8-18-9-15)12-4-5-14-13(6-12)17-11(3)19-14/h4-6,10,16H,7-9H2,1-3H3.
What are the key properties of N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine?
N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methyl-1,3-benzoxazol-5-yl)oxetan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 116870608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).