N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C12H15N5O4 — CID 72880680

IUPACN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCc1noc(CCNC(=O)c2cnc(C)[nH]c2=O)n1
InChIInChI=1S/C12H15N5O4/c1-7-14-5-8(12(19)15-7)11(18)13-4-3-10-16-9(6-20-2)17-21-10/h5H,3-4,6H2,1-2H3,(H,13,18)(H,14,15,19)
InChIKeyXMGIZAMLZGYVSO-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.42
Rot. Bonds6

About N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72880680) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72880680
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCc1noc(CCNC(=O)c2cnc(C)[nH]c2=O)n1
InChIInChI=1S/C12H15N5O4/c1-7-14-5-8(12(19)15-7)11(18)13-4-3-10-16-9(6-20-2)17-21-10/h5H,3-4,6H2,1-2H3,(H,13,18)(H,14,15,19)
InChIKeyXMGIZAMLZGYVSO-UHFFFAOYSA-N
XLogP-0.42
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72880680) is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is COCc1noc(CCNC(=O)c2cnc(C)[nH]c2=O)n1.
What is the InChIKey of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XMGIZAMLZGYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-7-14-5-8(12(19)15-7)11(18)13-4-3-10-16-9(6-20-2)17-21-10/h5H,3-4,6H2,1-2H3,(H,13,18)(H,14,15,19).
What are the key properties of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 293.28 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72880680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).