7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol

C8H12N2O2 — CID 83905664

IUPAC7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol
SMILESNCC1(O)CCCc2cnoc21
InChIInChI=1S/C8H12N2O2/c9-5-8(11)3-1-2-6-4-10-12-7(6)8/h4,11H,1-3,5,9H2
InChIKeyFMRAWJATXHLVDB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.16
Rot. Bonds1

About 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol

7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol (PubChem CID 83905664) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol.

Molecular Properties

Compound Name7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol
PubChem CID83905664
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol
SMILESNCC1(O)CCCc2cnoc21
InChIInChI=1S/C8H12N2O2/c9-5-8(11)3-1-2-6-4-10-12-7(6)8/h4,11H,1-3,5,9H2
InChIKeyFMRAWJATXHLVDB-UHFFFAOYSA-N
XLogP0.16
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol?
The IUPAC name of 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol (CID 83905664) is 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol.
What is the SMILES notation for 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol?
The canonical SMILES for 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol is NCC1(O)CCCc2cnoc21.
What is the InChIKey of 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol?
The InChIKey is FMRAWJATXHLVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-5-8(11)3-1-2-6-4-10-12-7(6)8/h4,11H,1-3,5,9H2.
What are the key properties of 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol?
7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol has a molecular weight of 168.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-5,6-dihydro-4H-1,2-benzoxazol-7-ol is sourced from PubChem (CID 83905664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).