5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid

C10H11N5O4 — CID 167927177

IUPAC5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
SMILESCOCc1nc(CNc2cnc(C(=O)O)cn2)no1
InChIInChI=1S/C10H11N5O4/c1-18-5-9-14-8(15-19-9)4-13-7-3-11-6(2-12-7)10(16)17/h2-3H,4-5H2,1H3,(H,12,13)(H,16,17)
InChIKeyNFSDCEWVDXWPKL-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.32
Rot. Bonds6

About 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid

5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 167927177) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
PubChem CID167927177
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
SMILESCOCc1nc(CNc2cnc(C(=O)O)cn2)no1
InChIInChI=1S/C10H11N5O4/c1-18-5-9-14-8(15-19-9)4-13-7-3-11-6(2-12-7)10(16)17/h2-3H,4-5H2,1H3,(H,12,13)(H,16,17)
InChIKeyNFSDCEWVDXWPKL-UHFFFAOYSA-N
XLogP0.32
TPSA123.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
CID 114186390
5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 167786219
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 167982197
5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054324
5-[(5-methoxy-4,4-dimethylpentyl)amino]pyrazine-2-carboxylic acid
CID 122057461
methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
CID 114186375
5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054008
5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid
CID 122054676
5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496
4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 91762217
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62341796

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid (CID 167927177) is 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid is COCc1nc(CNc2cnc(C(=O)O)cn2)no1.
What is the InChIKey of 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is NFSDCEWVDXWPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-18-5-9-14-8(15-19-9)4-13-7-3-11-6(2-12-7)10(16)17/h2-3H,4-5H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid?
5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167927177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).