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

C13H16N2O3 — CID 115248821

IUPAC[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol
SMILESCc1nc2ccc(NCC3(CO)COC3)cc2o1
InChIInChI=1S/C13H16N2O3/c1-9-15-11-3-2-10(4-12(11)18-9)14-5-13(6-16)7-17-8-13/h2-4,14,16H,5-8H2,1H3
InChIKeyHOLMUYSORLYMJC-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.56
Rot. Bonds4

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

[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol (PubChem CID 115248821) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol
PubChem CID115248821
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol
SMILESCc1nc2ccc(NCC3(CO)COC3)cc2o1
InChIInChI=1S/C13H16N2O3/c1-9-15-11-3-2-10(4-12(11)18-9)14-5-13(6-16)7-17-8-13/h2-4,14,16H,5-8H2,1H3
InChIKeyHOLMUYSORLYMJC-UHFFFAOYSA-N
XLogP1.56
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol
CID 115120319
[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116930397
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
N'-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 115197129
N-ethyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115205626
[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol
CID 116944839
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115230297
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514

Frequently Asked Questions

What is the IUPAC name of [3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol (CID 115248821) is [3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol is Cc1nc2ccc(NCC3(CO)COC3)cc2o1.
What is the InChIKey of [3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol?
The InChIKey is HOLMUYSORLYMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-15-11-3-2-10(4-12(11)18-9)14-5-13(6-16)7-17-8-13/h2-4,14,16H,5-8H2,1H3.
What are the key properties of [3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol?
[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol has a molecular weight of 248.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).