N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide

C20H21N3O2S — CID 2226307

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CSc1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-15(2)23(19(24)14-26-17-11-7-4-8-12-17)13-18-21-20(22-25-18)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3
InChIKeyNLLQNXSGUDBXRT-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.27
Rot. Bonds7

About N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide (PubChem CID 2226307) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide
PubChem CID2226307
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CSc1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-15(2)23(19(24)14-26-17-11-7-4-8-12-17)13-18-21-20(22-25-18)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3
InChIKeyNLLQNXSGUDBXRT-UHFFFAOYSA-N
XLogP4.27
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide (CID 2226307) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CSc1ccccc1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide?
The InChIKey is NLLQNXSGUDBXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15(2)23(19(24)14-26-17-11-7-4-8-12-17)13-18-21-20(22-25-18)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide has a molecular weight of 367.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylsulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 2226307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).