N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide

C13H15N3O6 — CID 39340967

IUPACN-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1occc(=O)c1OCc1noc(C(=O)NC[C@@H](C)O)n1
InChIInChI=1S/C13H15N3O6/c1-7(17)5-14-12(19)13-15-10(16-22-13)6-21-11-8(2)20-4-3-9(11)18/h3-4,7,17H,5-6H2,1-2H3,(H,14,19)/t7-/m1/s1
InChIKeyGSTREOOQCJGVKH-SSDOTTSWSA-N
MW309.28 g/mol
LogP0.02
Rot. Bonds6

About N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide

N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39340967) has the molecular formula C13H15N3O6 and a molecular weight of 309.28 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID39340967
Molecular FormulaC13H15N3O6
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC NameN-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1occc(=O)c1OCc1noc(C(=O)NC[C@@H](C)O)n1
InChIInChI=1S/C13H15N3O6/c1-7(17)5-14-12(19)13-15-10(16-22-13)6-21-11-8(2)20-4-3-9(11)18/h3-4,7,17H,5-6H2,1-2H3,(H,14,19)/t7-/m1/s1
InChIKeyGSTREOOQCJGVKH-SSDOTTSWSA-N
XLogP0.02
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335876
3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 75269878
3-[4-[(2-methyl-4-oxopyran-3-yl)oxymethyl]phenyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 39047110
3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534811
3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 29127360
2-methyl-3-phenylmethoxypyran-4-one
CID 1490119
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
3-ethyl-N-(2-methyl-3-phenylmethoxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 154785667
3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39333258
N-[(3-chlorophenyl)methyl]-3-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29131878
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492028
2-methyl-3-(2-methylprop-2-enoxy)pyran-4-one
CID 82064655

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide (CID 39340967) is N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide is Cc1occc(=O)c1OCc1noc(C(=O)NC[C@@H](C)O)n1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GSTREOOQCJGVKH-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H15N3O6/c1-7(17)5-14-12(19)13-15-10(16-22-13)6-21-11-8(2)20-4-3-9(11)18/h3-4,7,17H,5-6H2,1-2H3,(H,14,19)/t7-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 309.28 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39340967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).