N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide

C12H15N5O3 — CID 122562885

IUPACN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCOCc1noc(CNC(=O)c2c(C)ncnc2C)n1
InChIInChI=1S/C12H15N5O3/c1-7-11(8(2)15-6-14-7)12(18)13-4-10-16-9(5-19-3)17-20-10/h6H,4-5H2,1-3H3,(H,13,18)
InChIKeyHFDKTGUZEAIILJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.55
Rot. Bonds5

About N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 122562885) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
PubChem CID122562885
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCOCc1noc(CNC(=O)c2c(C)ncnc2C)n1
InChIInChI=1S/C12H15N5O3/c1-7-11(8(2)15-6-14-7)12(18)13-4-10-16-9(5-19-3)17-20-10/h6H,4-5H2,1-3H3,(H,13,18)
InChIKeyHFDKTGUZEAIILJ-UHFFFAOYSA-N
XLogP0.55
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-hydroxy-5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]benzoate
CID 122572331
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 119071922
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72932689
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 70752728
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 122556515
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2-pyrrol-1-ylpropanamide
CID 122558648
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474749
2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 91833337
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 72866993

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide (CID 122562885) is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide is COCc1noc(CNC(=O)c2c(C)ncnc2C)n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is HFDKTGUZEAIILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-7-11(8(2)15-6-14-7)12(18)13-4-10-16-9(5-19-3)17-20-10/h6H,4-5H2,1-3H3,(H,13,18).
What are the key properties of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide?
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 122562885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).