1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol

C10H12N2O2 — CID 150066000

IUPAC1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol
SMILESCNC(C)(O)c1nc2ccccc2o1
InChIInChI=1S/C10H12N2O2/c1-10(13,11-2)9-12-7-5-3-4-6-8(7)14-9/h3-6,11,13H,1-2H3
InChIKeyDOHDUXQEYYIDKV-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.21
Rot. Bonds2

About 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol

1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol (PubChem CID 150066000) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol
PubChem CID150066000
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol
SMILESCNC(C)(O)c1nc2ccccc2o1
InChIInChI=1S/C10H12N2O2/c1-10(13,11-2)9-12-7-5-3-4-6-8(7)14-9/h3-6,11,13H,1-2H3
InChIKeyDOHDUXQEYYIDKV-UHFFFAOYSA-N
XLogP1.21
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethane-1,1-diol
CID 119082013
2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 70835474
1,1-bis(1,3-benzoxazol-2-yl)prop-2-en-1-ol
CID 11231642
2-(2-methylpentan-2-yl)-1,3-benzoxazole
CID 139407128
2-[bromo(difluoro)methyl]-1,3-benzoxazole
CID 10681971
N-[2-(1,3-benzoxazol-2-yl)propan-2-yl]-2-chloroacetamide
CID 166429094
2-(2-methyl-1-methylsulfanylpropan-2-yl)-1,3-benzoxazole
CID 10489184
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole
CID 87259215
tert-butyl N-[1-(1,3-benzoxazol-2-yl)-1-hydroxybutyl]carbamate
CID 91179644
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole
CID 167547125
2-(1,3-benzoxazol-2-ylamino)-2-methylpropan-1-ol
CID 60969632

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol (CID 150066000) is 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol is CNC(C)(O)c1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol?
The InChIKey is DOHDUXQEYYIDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-10(13,11-2)9-12-7-5-3-4-6-8(7)14-9/h3-6,11,13H,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol?
1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol has a molecular weight of 192.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-1-(methylamino)ethanol is sourced from PubChem (CID 150066000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).