4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol

C11H15N3O3 — CID 171881465

IUPAC4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2onc(N)c2c1
InChIInChI=1S/C11H15N3O3/c12-4-3-8(15)10(16)6-1-2-9-7(5-6)11(13)14-17-9/h1-2,5,8,10,15-16H,3-4,12H2,(H2,13,14)
InChIKeyGFOHOVXXGSZDNP-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.15
Rot. Bonds4

About 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol

4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol (PubChem CID 171881465) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol
PubChem CID171881465
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2onc(N)c2c1
InChIInChI=1S/C11H15N3O3/c12-4-3-8(15)10(16)6-1-2-9-7(5-6)11(13)14-17-9/h1-2,5,8,10,15-16H,3-4,12H2,(H2,13,14)
InChIKeyGFOHOVXXGSZDNP-UHFFFAOYSA-N
XLogP0.15
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-amino-1,2-benzoxazol-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820084
4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide
CID 171899382
4-amino-1-dibenzofuran-2-ylbutane-1,2-diol
CID 171882248
4-amino-1-(4-amino-3-hydroxyphenyl)butane-1,2-diol
CID 171881025
4-amino-1-(1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881431
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
2-amino-5-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881708
4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
CID 171882250
4-amino-1-(1H-indazol-6-yl)butane-1,2-diol
CID 171881419
4-amino-1-(4-bromophenyl)butane-1,2-diol
CID 171882308
4-amino-1-(3-bromo-4-chlorophenyl)butane-1,2-diol
CID 171882344
4-amino-1-[4-(4-aminophenoxy)phenyl]butane-1,2-diol
CID 171882277

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol (CID 171881465) is 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol is NCCC(O)C(O)c1ccc2onc(N)c2c1.
What is the InChIKey of 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol?
The InChIKey is GFOHOVXXGSZDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-4-3-8(15)10(16)6-1-2-9-7(5-6)11(13)14-17-9/h1-2,5,8,10,15-16H,3-4,12H2,(H2,13,14).
What are the key properties of 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol?
4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol has a molecular weight of 237.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol is sourced from PubChem (CID 171881465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).