2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide

C20H20N2O3S — CID 2141448

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCCO
InChIInChI=1S/C20H20N2O3S/c23-13-7-12-21-17(24)14-26-20-22-18(15-8-3-1-4-9-15)19(25-20)16-10-5-2-6-11-16/h1-6,8-11,23H,7,12-14H2,(H,21,24)
InChIKeySFDJCJAKXXNEMM-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.60
Rot. Bonds8

About 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide

2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide (PubChem CID 2141448) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide
PubChem CID2141448
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCCO
InChIInChI=1S/C20H20N2O3S/c23-13-7-12-21-17(24)14-26-20-22-18(15-8-3-1-4-9-15)19(25-20)16-10-5-2-6-11-16/h1-6,8-11,23H,7,12-14H2,(H,21,24)
InChIKeySFDJCJAKXXNEMM-UHFFFAOYSA-N
XLogP3.60
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide (CID 2141448) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCCO.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide?
The InChIKey is SFDJCJAKXXNEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-13-7-12-21-17(24)14-26-20-22-18(15-8-3-1-4-9-15)19(25-20)16-10-5-2-6-11-16/h1-6,8-11,23H,7,12-14H2,(H,21,24).
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 2141448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).