4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol

C11H16N2O2 — CID 83909217

IUPAC4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
SMILESNCC1(O)CCCc2onc(C3CC3)c21
InChIInChI=1S/C11H16N2O2/c12-6-11(14)5-1-2-8-9(11)10(13-15-8)7-3-4-7/h7,14H,1-6,12H2
InChIKeyHXIZIGVUKJEFLP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.03
Rot. Bonds2

About 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol

4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol (PubChem CID 83909217) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
PubChem CID83909217
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol
SMILESNCC1(O)CCCc2onc(C3CC3)c21
InChIInChI=1S/C11H16N2O2/c12-6-11(14)5-1-2-8-9(11)10(13-15-8)7-3-4-7/h7,14H,1-6,12H2
InChIKeyHXIZIGVUKJEFLP-UHFFFAOYSA-N
XLogP1.03
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
The IUPAC name of 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol (CID 83909217) is 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol is NCC1(O)CCCc2onc(C3CC3)c21.
What is the InChIKey of 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
The InChIKey is HXIZIGVUKJEFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-6-11(14)5-1-2-8-9(11)10(13-15-8)7-3-4-7/h7,14H,1-6,12H2.
What are the key properties of 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol?
4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol has a molecular weight of 208.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-cyclopropyl-6,7-dihydro-5H-1,2-benzoxazol-4-ol is sourced from PubChem (CID 83909217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).