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

C26H22N2O2S — CID 43031737

IUPACN-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESO=C(NC1CC1)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C26H22N2O2S/c29-25(27-21-16-17-21)24(20-14-8-3-9-15-20)31-26-28-22(18-10-4-1-5-11-18)23(30-26)19-12-6-2-7-13-19/h1-15,21,24H,16-17H2,(H,27,29)
InChIKeyDKJJOTHEAFDZNI-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.12
Rot. Bonds7

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

N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 43031737) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
PubChem CID43031737
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC NameN-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESO=C(NC1CC1)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C26H22N2O2S/c29-25(27-21-16-17-21)24(20-14-8-3-9-15-20)31-26-28-22(18-10-4-1-5-11-18)23(30-26)19-12-6-2-7-13-19/h1-15,21,24H,16-17H2,(H,27,29)
InChIKeyDKJJOTHEAFDZNI-UHFFFAOYSA-N
XLogP6.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090
(2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135928343
2-(3-cyclopropyl-1-phenylpropyl)sulfanyl-4,5-diphenyl-1,3-oxazole
CID 23938041
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 7266243
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355
ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 27954713
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
CID 54148093
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 40812838
(2S)-2-(4-tert-butylphenyl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9042642
(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 2378053
N-(2-adamantyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5219543
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 2378056

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide (CID 43031737) is N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide is O=C(NC1CC1)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide?
The InChIKey is DKJJOTHEAFDZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c29-25(27-21-16-17-21)24(20-14-8-3-9-15-20)31-26-28-22(18-10-4-1-5-11-18)23(30-26)19-12-6-2-7-13-19/h1-15,21,24H,16-17H2,(H,27,29).
What are the key properties of N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide?
N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 426.54 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 43031737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).