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

C11H13N3O4 — CID 171899382

IUPAC4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc2onc(N)c2c1
InChIInChI=1S/C11H13N3O4/c12-9(16)4-7(15)10(17)5-1-2-8-6(3-5)11(13)14-18-8/h1-3,7,10,15,17H,4H2,(H2,12,16)(H2,13,14)
InChIKeyBIQIPGPKFMRNCA-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.32
Rot. Bonds4

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

4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide (PubChem CID 171899382) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide
PubChem CID171899382
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc2onc(N)c2c1
InChIInChI=1S/C11H13N3O4/c12-9(16)4-7(15)10(17)5-1-2-8-6(3-5)11(13)14-18-8/h1-3,7,10,15,17H,4H2,(H2,12,16)(H2,13,14)
InChIKeyBIQIPGPKFMRNCA-UHFFFAOYSA-N
XLogP-0.32
TPSA135.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.32
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-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol
CID 171881465
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide
CID 171899918
4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171899827
4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide
CID 171899993
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide (CID 171899382) is 4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc2onc(N)c2c1.
What is the InChIKey of 4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide?
The InChIKey is BIQIPGPKFMRNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-9(16)4-7(15)10(17)5-1-2-8-6(3-5)11(13)14-18-8/h1-3,7,10,15,17H,4H2,(H2,12,16)(H2,13,14).
What are the key properties of 4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide?
4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide has a molecular weight of 251.24 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).