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

C14H17N5O4S — CID 74925467

IUPAC2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nnc(CC2C(=O)N(C)C(=O)N=C2C)o1
InChIInChI=1S/C14H17N5O4S/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/h4,9H,1,5-7H2,2-3H3,(H,15,20)
InChIKeyUDHJMJYNPJQAPR-UHFFFAOYSA-N
MW351.39 g/mol
LogP0.68
Rot. Bonds7

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

2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide (PubChem CID 74925467) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 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-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
PubChem CID74925467
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nnc(CC2C(=O)N(C)C(=O)N=C2C)o1
InChIInChI=1S/C14H17N5O4S/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/h4,9H,1,5-7H2,2-3H3,(H,15,20)
InChIKeyUDHJMJYNPJQAPR-UHFFFAOYSA-N
XLogP0.68
TPSA117.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-propylacetamide
CID 74925529
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
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-(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
2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 74925637
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylacetamide
CID 86790312
2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4823850
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7800736
2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 74925324
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 3461138

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-prop-2-enylacetamide?
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-prop-2-enylacetamide (CID 74925467) is 2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide.
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-prop-2-enylacetamide?
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-prop-2-enylacetamide is C=CCNC(=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-prop-2-enylacetamide?
The InChIKey is UDHJMJYNPJQAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/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/h4,9H,1,5-7H2,2-3H3,(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-prop-2-enylacetamide?
2-[[5-[(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide has a molecular weight of 351.39 g/mol, XLogP of 0.68, 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-prop-2-enylacetamide is sourced from PubChem (CID 74925467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).