3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C11H16N4O4 — CID 125442913

IUPAC3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@]1(C(=O)NCc2noc(C(N)=O)n2)CCCCO1
InChIInChI=1S/C11H16N4O4/c1-11(4-2-3-5-18-11)10(17)13-6-7-14-9(8(12)16)19-15-7/h2-6H2,1H3,(H2,12,16)(H,13,17)/t11-/m1/s1
InChIKeyUCZRBMFJONXCPC-LLVKDONJSA-N
MW268.27 g/mol
LogP-0.26
Rot. Bonds4

About 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 125442913) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID125442913
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@]1(C(=O)NCc2noc(C(N)=O)n2)CCCCO1
InChIInChI=1S/C11H16N4O4/c1-11(4-2-3-5-18-11)10(17)13-6-7-14-9(8(12)16)19-15-7/h2-6H2,1H3,(H2,12,16)(H,13,17)/t11-/m1/s1
InChIKeyUCZRBMFJONXCPC-LLVKDONJSA-N
XLogP-0.26
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 125442913) is 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is C[C@]1(C(=O)NCc2noc(C(N)=O)n2)CCCCO1.
What is the InChIKey of 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is UCZRBMFJONXCPC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-11(4-2-3-5-18-11)10(17)13-6-7-14-9(8(12)16)19-15-7/h2-6H2,1H3,(H2,12,16)(H,13,17)/t11-/m1/s1.
What are the key properties of 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 268.27 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-methyloxane-2-carbonyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 125442913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).