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

C14H18N2O3 — CID 116959513

IUPAC[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
SMILESCNC(c1ccc2oc(C)nc2c1)C1(CO)COC1
InChIInChI=1S/C14H18N2O3/c1-9-16-11-5-10(3-4-12(11)19-9)13(15-2)14(6-17)7-18-8-14/h3-5,13,15,17H,6-8H2,1-2H3
InChIKeyPSILKOHZAGOEGA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.41
Rot. Bonds4

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

[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol (PubChem CID 116959513) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
PubChem CID116959513
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
SMILESCNC(c1ccc2oc(C)nc2c1)C1(CO)COC1
InChIInChI=1S/C14H18N2O3/c1-9-16-11-5-10(3-4-12(11)19-9)13(15-2)14(6-17)7-18-8-14/h3-5,13,15,17H,6-8H2,1-2H3
InChIKeyPSILKOHZAGOEGA-UHFFFAOYSA-N
XLogP1.41
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959451
[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol
CID 116944839
1-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116958064
3-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetane-3-carboxylic acid
CID 116944650
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712
[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959457
[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116930397
2-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116953844
2-amino-3-(methylamino)-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116957401
N,N',N'-trimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)methanediamine
CID 116909296
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
CID 116954230

Frequently Asked Questions

What is the IUPAC name of [3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol (CID 116959513) is [3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol is CNC(c1ccc2oc(C)nc2c1)C1(CO)COC1.
What is the InChIKey of [3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is PSILKOHZAGOEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-16-11-5-10(3-4-12(11)19-9)13(15-2)14(6-17)7-18-8-14/h3-5,13,15,17H,6-8H2,1-2H3.
What are the key properties of [3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol?
[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 262.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116959513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).