N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H21N5O2S — CID 167819492

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccc(C(C)C)cc3)o2)n(C)n1
InChIInChI=1S/C18H21N5O2S/c1-11(2)13-5-7-14(8-6-13)17-20-21-18(25-17)26-10-16(24)19-15-9-12(3)22-23(15)4/h5-9,11H,10H2,1-4H3,(H,19,24)
InChIKeyPVVAYLVZVUUYPL-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.63
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 167819492) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID167819492
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccc(C(C)C)cc3)o2)n(C)n1
InChIInChI=1S/C18H21N5O2S/c1-11(2)13-5-7-14(8-6-13)17-20-21-18(25-17)26-10-16(24)19-15-9-12(3)22-23(15)4/h5-9,11H,10H2,1-4H3,(H,19,24)
InChIKeyPVVAYLVZVUUYPL-UHFFFAOYSA-N
XLogP3.63
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 4291697
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 4559775
N-(4-bromo-2,6-dimethylphenyl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126177183
N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762451
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 56734777
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4528545
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 112782865
N-[(2S)-butan-2-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7816308
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone
CID 7805689
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 4828679
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4008503

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 167819492) is N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc(-c3ccc(C(C)C)cc3)o2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PVVAYLVZVUUYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-11(2)13-5-7-14(8-6-13)17-20-21-18(25-17)26-10-16(24)19-15-9-12(3)22-23(15)4/h5-9,11H,10H2,1-4H3,(H,19,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 371.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 167819492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).