[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol

C13H16N2O3 — CID 116944839

IUPAC[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol
SMILESCc1nc2ccc(C(N)C3(CO)COC3)cc2o1
InChIInChI=1S/C13H16N2O3/c1-8-15-10-3-2-9(4-11(10)18-8)12(14)13(5-16)6-17-7-13/h2-4,12,16H,5-7,14H2,1H3
InChIKeyMVPOIZZVFXEFDJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.14
Rot. Bonds3

About [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol

[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol (PubChem CID 116944839) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol
PubChem CID116944839
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol
SMILESCc1nc2ccc(C(N)C3(CO)COC3)cc2o1
InChIInChI=1S/C13H16N2O3/c1-8-15-10-3-2-9(4-11(10)18-8)12(14)13(5-16)6-17-7-13/h2-4,12,16H,5-7,14H2,1H3
InChIKeyMVPOIZZVFXEFDJ-UHFFFAOYSA-N
XLogP1.14
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116959513
3-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116944650
[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944770
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493621
3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937388
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
CID 116944767
[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248821
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243

Frequently Asked Questions

What is the IUPAC name of [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol (CID 116944839) is [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol is Cc1nc2ccc(C(N)C3(CO)COC3)cc2o1.
What is the InChIKey of [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is MVPOIZZVFXEFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-15-10-3-2-9(4-11(10)18-8)12(14)13(5-16)6-17-7-13/h2-4,12,16H,5-7,14H2,1H3.
What are the key properties of [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol?
[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 248.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116944839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).