3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide

C10H11N3O2 — CID 174229965

IUPAC3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide
SMILES[H]/N=C(\N)CC(O)c1nc2ccccc2o1
InChIInChI=1S/C10H11N3O2/c11-9(12)5-7(14)10-13-6-3-1-2-4-8(6)15-10/h1-4,7,14H,5H2,(H3,11,12)
InChIKeyXEIQVYBEYWUSSS-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.19
Rot. Bonds3

About 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide

3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide (PubChem CID 174229965) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide
PubChem CID174229965
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide
SMILES[H]/N=C(\N)CC(O)c1nc2ccccc2o1
InChIInChI=1S/C10H11N3O2/c11-9(12)5-7(14)10-13-6-3-1-2-4-8(6)15-10/h1-4,7,14H,5H2,(H3,11,12)
InChIKeyXEIQVYBEYWUSSS-UHFFFAOYSA-N
XLogP1.19
TPSA96.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzoxazol-2-ylsulfanyl)-3-phenylpropanimidamide
CID 62778782
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
CID 11665617
3-amino-4-(1,3-benzoxazol-2-yl)-4-hydroxybutanoic acid
CID 66853727
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol
CID 59918149
zinc 2-(1,3-benzoxazol-2-yl)butanebis(thioate)
CID 88687444
3-(1,3-benzoxazol-2-yl)-2-sulfanylidenepentanediamide
CID 57257595
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol
CID 58458983
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
2-(1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 55129005
2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
CID 174575331
[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
CID 58835908
(Z)-1-(1,3-benzoxazol-2-yl)octadec-9-en-1-ol
CID 68853918

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide (CID 174229965) is 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide is [H]/N=C(\N)CC(O)c1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide?
The InChIKey is XEIQVYBEYWUSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-9(12)5-7(14)10-13-6-3-1-2-4-8(6)15-10/h1-4,7,14H,5H2,(H3,11,12).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide?
3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide has a molecular weight of 205.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-3-hydroxypropanimidamide is sourced from PubChem (CID 174229965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).