N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C14H21N5O4S — CID 74925330

IUPACN,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(CC2C(=O)NC(=O)NC2C)o1
InChIInChI=1S/C14H21N5O4S/c1-4-19(5-2)11(20)7-24-14-18-17-10(23-14)6-9-8(3)15-13(22)16-12(9)21/h8-9H,4-7H2,1-3H3,(H2,15,16,21,22)
InChIKeyRXORMBCOAQPGBZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.42
Rot. Bonds7

About N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 74925330) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID74925330
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC NameN,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(CC2C(=O)NC(=O)NC2C)o1
InChIInChI=1S/C14H21N5O4S/c1-4-19(5-2)11(20)7-24-14-18-17-10(23-14)6-9-8(3)15-13(22)16-12(9)21/h8-9H,4-7H2,1-3H3,(H2,15,16,21,22)
InChIKeyRXORMBCOAQPGBZ-UHFFFAOYSA-N
XLogP0.42
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 74925330) is N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCN(CC)C(=O)CSc1nnc(CC2C(=O)NC(=O)NC2C)o1.
What is the InChIKey of N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is RXORMBCOAQPGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-4-19(5-2)11(20)7-24-14-18-17-10(23-14)6-9-8(3)15-13(22)16-12(9)21/h8-9H,4-7H2,1-3H3,(H2,15,16,21,22).
What are the key properties of N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 74925330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).