5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C12H13N5O4 — CID 118777535

IUPAC5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)c2ncoc2C2CC2)n1
InChIInChI=1S/C12H13N5O4/c1-13-12(19)10-16-7(21-17-10)4-14-11(18)8-9(6-2-3-6)20-5-15-8/h5-6H,2-4H2,1H3,(H,13,19)(H,14,18)
InChIKeyUEYUALJANXBAIC-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.22
Rot. Bonds5

About 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 118777535) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID118777535
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)c2ncoc2C2CC2)n1
InChIInChI=1S/C12H13N5O4/c1-13-12(19)10-16-7(21-17-10)4-14-11(18)8-9(6-2-3-6)20-5-15-8/h5-6H,2-4H2,1H3,(H,13,19)(H,14,18)
InChIKeyUEYUALJANXBAIC-UHFFFAOYSA-N
XLogP0.22
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 118777535) is 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNC(=O)c2ncoc2C2CC2)n1.
What is the InChIKey of 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is UEYUALJANXBAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-13-12(19)10-16-7(21-17-10)4-14-11(18)8-9(6-2-3-6)20-5-15-8/h5-6H,2-4H2,1H3,(H,13,19)(H,14,18).
What are the key properties of 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-cyclopropyl-1,3-oxazole-4-carbonyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 118777535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).