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

C17H17N5O3S — CID 3668530

IUPACN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCOCc1nnc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)o1
InChIInChI=1S/C17H17N5O3S/c1-11-8-13(12-6-4-3-5-7-12)19-17(18-11)26-10-14(23)20-16-22-21-15(25-16)9-24-2/h3-8H,9-10H2,1-2H3,(H,20,22,23)
InChIKeyKMLPVNCUAKRDKL-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.71
Rot. Bonds7

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

N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 3668530) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID3668530
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCOCc1nnc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)o1
InChIInChI=1S/C17H17N5O3S/c1-11-8-13(12-6-4-3-5-7-12)19-17(18-11)26-10-14(23)20-16-22-21-15(25-16)9-24-2/h3-8H,9-10H2,1-2H3,(H,20,22,23)
InChIKeyKMLPVNCUAKRDKL-UHFFFAOYSA-N
XLogP2.71
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4113951
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 8729800
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730126
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3479531
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2192131
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2192132
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4168509
2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 126389565
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide (CID 3668530) is N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide is COCc1nnc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)o1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KMLPVNCUAKRDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11-8-13(12-6-4-3-5-7-12)19-17(18-11)26-10-14(23)20-16-22-21-15(25-16)9-24-2/h3-8H,9-10H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide?
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 371.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3668530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).