2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide

C14H18N4O2S — CID 53160901

IUPAC2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCc1nc(-c2cccnc2SCC(=O)NCC(C)C)no1
InChIInChI=1S/C14H18N4O2S/c1-9(2)7-16-12(19)8-21-14-11(5-4-6-15-14)13-17-10(3)20-18-13/h4-6,9H,7-8H2,1-3H3,(H,16,19)
InChIKeyLRXSMFCJGVXIDN-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.30
Rot. Bonds6

About 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide

2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 53160901) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
PubChem CID53160901
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCc1nc(-c2cccnc2SCC(=O)NCC(C)C)no1
InChIInChI=1S/C14H18N4O2S/c1-9(2)7-16-12(19)8-21-14-11(5-4-6-15-14)13-17-10(3)20-18-13/h4-6,9H,7-8H2,1-3H3,(H,16,19)
InChIKeyLRXSMFCJGVXIDN-UHFFFAOYSA-N
XLogP2.30
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160899
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160903
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 53160924
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160891
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone
CID 53160929
2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 53160968
2-[[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 53200927
2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetic acid
CID 97032554
N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 46367603
2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 1456347

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide (CID 53160901) is 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide is Cc1nc(-c2cccnc2SCC(=O)NCC(C)C)no1.
What is the InChIKey of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is LRXSMFCJGVXIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9(2)7-16-12(19)8-21-14-11(5-4-6-15-14)13-17-10(3)20-18-13/h4-6,9H,7-8H2,1-3H3,(H,16,19).
What are the key properties of 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide?
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 53160901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).