2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide

C14H19N5O4S — CID 74925529

IUPAC2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(CC2C(=O)N(C)C(=O)N=C2C)o1
InChIInChI=1S/C14H19N5O4S/c1-4-5-15-10(20)7-24-14-18-17-11(23-14)6-9-8(2)16-13(22)19(3)12(9)21/h9H,4-7H2,1-3H3,(H,15,20)
InChIKeyAIICFMKORGCOOD-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.90
Rot. Bonds7

About 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide

2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide (PubChem CID 74925529) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
PubChem CID74925529
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC Name2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(CC2C(=O)N(C)C(=O)N=C2C)o1
InChIInChI=1S/C14H19N5O4S/c1-4-5-15-10(20)7-24-14-18-17-11(23-14)6-9-8(2)16-13(22)19(3)12(9)21/h9H,4-7H2,1-3H3,(H,15,20)
InChIKeyAIICFMKORGCOOD-UHFFFAOYSA-N
XLogP0.90
TPSA117.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
CID 74925467
N-(2,4-dimethoxyphenyl)-2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925517
5-[[5-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,6-dimethyl-5H-pyrimidine-2,4-dione
CID 74925490
2-[[5-[2-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 74912578
5-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-3,6-dimethyl-5H-pyrimidine-2,4-dione
CID 74925436
N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925605
2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 7810552
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7417948
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 7374133
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 9459038
N-(3-methoxypropyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24574331
N-cyclohexyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4288335

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide (CID 74925529) is 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(CC2C(=O)N(C)C(=O)N=C2C)o1.
What is the InChIKey of 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
The InChIKey is AIICFMKORGCOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-4-5-15-10(20)7-24-14-18-17-11(23-14)6-9-8(2)16-13(22)19(3)12(9)21/h9H,4-7H2,1-3H3,(H,15,20).
What are the key properties of 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide?
2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide has a molecular weight of 353.40 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide is sourced from PubChem (CID 74925529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).