3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol

C12H16N2O2 — CID 90787479

IUPAC3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cc1ccc2oc(N)nc2c1
InChIInChI=1S/C12H16N2O2/c1-12(2,7-15)6-8-3-4-10-9(5-8)14-11(13)16-10/h3-5,15H,6-7H2,1-2H3,(H2,13,14)
InChIKeyBLTJXBIGIRBWKB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.97
Rot. Bonds3

About 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol

3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol (PubChem CID 90787479) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol
PubChem CID90787479
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cc1ccc2oc(N)nc2c1
InChIInChI=1S/C12H16N2O2/c1-12(2,7-15)6-8-3-4-10-9(5-8)14-11(13)16-10/h3-5,15H,6-7H2,1-2H3,(H2,13,14)
InChIKeyBLTJXBIGIRBWKB-UHFFFAOYSA-N
XLogP1.97
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-propyl-1,3-benzoxazol-2-amine
CID 62548389
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187
(Z)-2-amino-4-(2-amino-1,3-benzoxazol-5-yl)but-2-enoic acid
CID 155758856
1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one
CID 15750383
5-[(pentylideneamino)oxymethyl]-1,3-benzoxazol-2-amine
CID 91072472
CID 89212359
CID 89212359
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propan-1-ol
CID 115133411
5-(2,2-dimethylpropyl)-2-phenyl-1,3-benzoxazole
CID 129228304
2,2-dimethyl-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117407398
(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol
CID 58709704
3-(4-ethylphenyl)-2,2-dimethylpropan-1-ol
CID 21254615
2,2-difluoro-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116838289

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol (CID 90787479) is 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol is CC(C)(CO)Cc1ccc2oc(N)nc2c1.
What is the InChIKey of 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is BLTJXBIGIRBWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,7-15)6-8-3-4-10-9(5-8)14-11(13)16-10/h3-5,15H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol?
3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 90787479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).