2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide

C10H18N6O5 — CID 134423855

IUPAC2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide
SMILESCC(O)C(NC(=O)NCc1nc(C(N)CO)no1)C(N)=O
InChIInChI=1S/C10H18N6O5/c1-4(18)7(8(12)19)15-10(20)13-2-6-14-9(16-21-6)5(11)3-17/h4-5,7,17-18H,2-3,11H2,1H3,(H2,12,19)(H2,13,15,20)
InChIKeyWEBVHFWFYJLGNR-UHFFFAOYSA-N
MW302.29 g/mol
LogP-2.90
Rot. Bonds7

About 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide

2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide (PubChem CID 134423855) has the molecular formula C10H18N6O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide.

Molecular Properties

Compound Name2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide
PubChem CID134423855
Molecular FormulaC10H18N6O5
Molecular Weight302.29 g/mol
Exact Mass302.13
IUPAC Name2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide
SMILESCC(O)C(NC(=O)NCc1nc(C(N)CO)no1)C(N)=O
InChIInChI=1S/C10H18N6O5/c1-4(18)7(8(12)19)15-10(20)13-2-6-14-9(16-21-6)5(11)3-17/h4-5,7,17-18H,2-3,11H2,1H3,(H2,12,19)(H2,13,15,20)
InChIKeyWEBVHFWFYJLGNR-UHFFFAOYSA-N
XLogP-2.90
TPSA189.62 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 5-2.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide?
The IUPAC name of 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide (CID 134423855) is 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide.
What is the SMILES notation for 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide?
The canonical SMILES for 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide is CC(O)C(NC(=O)NCc1nc(C(N)CO)no1)C(N)=O.
What is the InChIKey of 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide?
The InChIKey is WEBVHFWFYJLGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O5/c1-4(18)7(8(12)19)15-10(20)13-2-6-14-9(16-21-6)5(11)3-17/h4-5,7,17-18H,2-3,11H2,1H3,(H2,12,19)(H2,13,15,20).
What are the key properties of 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide?
2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide has a molecular weight of 302.29 g/mol, XLogP of -2.90, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanamide is sourced from PubChem (CID 134423855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).