3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide

C12H22N6O6 — CID 123256730

IUPAC3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide
SMILESCC(O)C(CO)NC(=O)NC(CC(N)=O)c1nnc(C(N)CO)o1
InChIInChI=1S/C12H22N6O6/c1-5(21)8(4-20)16-12(23)15-7(2-9(14)22)11-18-17-10(24-11)6(13)3-19/h5-8,19-21H,2-4,13H2,1H3,(H2,14,22)(H2,15,16,23)
InChIKeyRNWXRHUJCNDPDR-UHFFFAOYSA-N
MW346.34 g/mol
LogP-2.98
Rot. Bonds9

About 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide

3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide (PubChem CID 123256730) has the molecular formula C12H22N6O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide.

Molecular Properties

Compound Name3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide
PubChem CID123256730
Molecular FormulaC12H22N6O6
Molecular Weight346.34 g/mol
Exact Mass346.16
IUPAC Name3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide
SMILESCC(O)C(CO)NC(=O)NC(CC(N)=O)c1nnc(C(N)CO)o1
InChIInChI=1S/C12H22N6O6/c1-5(21)8(4-20)16-12(23)15-7(2-9(14)22)11-18-17-10(24-11)6(13)3-19/h5-8,19-21H,2-4,13H2,1H3,(H2,14,22)(H2,15,16,23)
InChIKeyRNWXRHUJCNDPDR-UHFFFAOYSA-N
XLogP-2.98
TPSA209.85 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.34
LogP ≤ 5-2.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide?
The IUPAC name of 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide (CID 123256730) is 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide.
What is the SMILES notation for 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide?
The canonical SMILES for 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide is CC(O)C(CO)NC(=O)NC(CC(N)=O)c1nnc(C(N)CO)o1.
What is the InChIKey of 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide?
The InChIKey is RNWXRHUJCNDPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O6/c1-5(21)8(4-20)16-12(23)15-7(2-9(14)22)11-18-17-10(24-11)6(13)3-19/h5-8,19-21H,2-4,13H2,1H3,(H2,14,22)(H2,15,16,23).
What are the key properties of 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide?
3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide has a molecular weight of 346.34 g/mol, XLogP of -2.98, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-amino-2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-3-(1,3-dihydroxybutan-2-ylcarbamoylamino)propanamide is sourced from PubChem (CID 123256730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).