3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol

C10H14N2O2 — CID 91619655

IUPAC3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol
SMILESNCCC(O)N1COc2ccccc21
InChIInChI=1S/C10H14N2O2/c11-6-5-10(13)12-7-14-9-4-2-1-3-8(9)12/h1-4,10,13H,5-7,11H2
InChIKeyCKVSYAKZPUJWTN-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol

3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol (PubChem CID 91619655) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol
PubChem CID91619655
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol
SMILESNCCC(O)N1COc2ccccc21
InChIInChI=1S/C10H14N2O2/c11-6-5-10(13)12-7-14-9-4-2-1-3-8(9)12/h1-4,10,13H,5-7,11H2
InChIKeyCKVSYAKZPUJWTN-UHFFFAOYSA-N
XLogP0.51
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol (CID 91619655) is 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol is NCCC(O)N1COc2ccccc21.
What is the InChIKey of 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol?
The InChIKey is CKVSYAKZPUJWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-6-5-10(13)12-7-14-9-4-2-1-3-8(9)12/h1-4,10,13H,5-7,11H2.
What are the key properties of 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol?
3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol has a molecular weight of 194.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2H-1,3-benzoxazol-3-yl)propan-1-ol is sourced from PubChem (CID 91619655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).