2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide

C13H17N5O3 — CID 122160536

IUPAC2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1nc(C2CCOCC2)no1
InChIInChI=1S/C13H17N5O3/c1-18-10(2-5-15-18)13(19)14-8-11-16-12(17-21-11)9-3-6-20-7-4-9/h2,5,9H,3-4,6-8H2,1H3,(H,14,19)
InChIKeyLUTKNKWFNLFJNP-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.63
Rot. Bonds4

About 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide

2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide (PubChem CID 122160536) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
PubChem CID122160536
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1nc(C2CCOCC2)no1
InChIInChI=1S/C13H17N5O3/c1-18-10(2-5-15-18)13(19)14-8-11-16-12(17-21-11)9-3-6-20-7-4-9/h2,5,9H,3-4,6-8H2,1H3,(H,14,19)
InChIKeyLUTKNKWFNLFJNP-UHFFFAOYSA-N
XLogP0.63
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide (CID 122160536) is 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1nc(C2CCOCC2)no1.
What is the InChIKey of 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is LUTKNKWFNLFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-18-10(2-5-15-18)13(19)14-8-11-16-12(17-21-11)9-3-6-20-7-4-9/h2,5,9H,3-4,6-8H2,1H3,(H,14,19).
What are the key properties of 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide?
2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 122160536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).