[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol

C13H15NO3 — CID 116930397

IUPAC[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
SMILESCc1nc2cc(CC3(CO)COC3)ccc2o1
InChIInChI=1S/C13H15NO3/c1-9-14-11-4-10(2-3-12(11)17-9)5-13(6-15)7-16-8-13/h2-4,15H,5-8H2,1H3
InChIKeyCVVQBJSROQWYKU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds3

About [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol

[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol (PubChem CID 116930397) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
PubChem CID116930397
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
SMILESCc1nc2cc(CC3(CO)COC3)ccc2o1
InChIInChI=1S/C13H15NO3/c1-9-14-11-4-10(2-3-12(11)17-9)5-13(6-15)7-16-8-13/h2-4,15H,5-8H2,1H3
InChIKeyCVVQBJSROQWYKU-UHFFFAOYSA-N
XLogP1.69
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116930146
[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine
CID 116929013
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248821
[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116959513
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine
CID 143344954
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
1-[[(2-methyl-1,3-benzoxazol-5-yl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242952
2-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116927069
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
CID 115133411

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol (CID 116930397) is [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol is Cc1nc2cc(CC3(CO)COC3)ccc2o1.
What is the InChIKey of [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is CVVQBJSROQWYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-14-11-4-10(2-3-12(11)17-9)5-13(6-15)7-16-8-13/h2-4,15H,5-8H2,1H3.
What are the key properties of [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol?
[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116930397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).