3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium

C10H11N2OY- — CID 59115940

IUPAC3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium
SMILESNCCCc1cccc2n[c-]oc12.[Y]
InChIInChI=1S/C10H11N2O.Y/c11-6-2-4-8-3-1-5-9-10(8)13-7-12-9;/h1,3,5H,2,4,6,11H2;/q-1;
InChIKeyMVAJEJYHTQQRAF-UHFFFAOYSA-N
MW264.12 g/mol
LogP1.52
Rot. Bonds3

About 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium

3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium (PubChem CID 59115940) has the molecular formula C10H11N2OY- and a molecular weight of 264.12 g/mol. Its IUPAC name is 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium.

Molecular Properties

Compound Name3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium
PubChem CID59115940
Molecular FormulaC10H11N2OY-
Molecular Weight264.12 g/mol
Exact Mass263.99
IUPAC Name3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium
SMILESNCCCc1cccc2n[c-]oc12.[Y]
InChIInChI=1S/C10H11N2O.Y/c11-6-2-4-8-3-1-5-9-10(8)13-7-12-9;/h1,3,5H,2,4,6,11H2;/q-1;
InChIKeyMVAJEJYHTQQRAF-UHFFFAOYSA-N
XLogP1.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine
CID 83877468
CID 158876913
CID 158876913
7-(3-aminopropyl)-3H-1,3-benzoxazol-2-one
CID 83878035
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
3-(2-chloro-3-methylphenyl)propan-1-amine
CID 83696792
4-(3-chloro-2H-indazol-4-yl)butan-1-amine
CID 117321071
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
4-quinolin-4-ylbutan-1-amine
CID 10559963
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
5-quinolin-4-ylpentan-1-amine
CID 71089574
3-(2-methoxy-3-pyridinyl)propan-1-amine
CID 55266989
2-(3-aminopropyl)-6-(fluoromethyl)phenol
CID 84659153

Frequently Asked Questions

What is the IUPAC name of 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium?
The IUPAC name of 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium (CID 59115940) is 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium.
What is the SMILES notation for 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium?
The canonical SMILES for 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium is NCCCc1cccc2n[c-]oc12.[Y].
What is the InChIKey of 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium?
The InChIKey is MVAJEJYHTQQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O.Y/c11-6-2-4-8-3-1-5-9-10(8)13-7-12-9;/h1,3,5H,2,4,6,11H2;/q-1;.
What are the key properties of 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium?
3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium has a molecular weight of 264.12 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium is sourced from PubChem (CID 59115940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).