5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

C12H14N4O3 — CID 56867370

IUPAC5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCc1nnc(C(=O)N(C)Cc2cccnc2)o1
InChIInChI=1S/C12H14N4O3/c1-16(7-9-4-3-5-13-6-9)12(17)11-15-14-10(19-11)8-18-2/h3-6H,7-8H2,1-2H3
InChIKeyHCQGBVDSFDYIEP-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.88
Rot. Bonds5

About 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 56867370) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID56867370
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCc1nnc(C(=O)N(C)Cc2cccnc2)o1
InChIInChI=1S/C12H14N4O3/c1-16(7-9-4-3-5-13-6-9)12(17)11-15-14-10(19-11)8-18-2/h3-6H,7-8H2,1-2H3
InChIKeyHCQGBVDSFDYIEP-UHFFFAOYSA-N
XLogP0.88
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87002082
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42519824
5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 86978030
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 56867370) is 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is COCc1nnc(C(=O)N(C)Cc2cccnc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HCQGBVDSFDYIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16(7-9-4-3-5-13-6-9)12(17)11-15-14-10(19-11)8-18-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 56867370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).