5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide

C18H16N2O2S — CID 134870982

IUPAC5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide
SMILESCCOc1ocnc1C(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2S/c1-2-21-18-16(19-13-22-18)17(23)20(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyFSCYLFNUUUUZOR-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.59
Rot. Bonds5

About 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide

5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide (PubChem CID 134870982) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide.

Molecular Properties

Compound Name5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide
PubChem CID134870982
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide
SMILESCCOc1ocnc1C(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2S/c1-2-21-18-16(19-13-22-18)17(23)20(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyFSCYLFNUUUUZOR-UHFFFAOYSA-N
XLogP4.59
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-ethoxy-1,3-oxazol-4-yl)methanol
CID 71653314
3-ethoxy-1,1-diphenylurea
CID 162373128
2-[tert-butyl(dimethyl)silyl]oxy-N,N-diphenylacetamide
CID 24809397
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
5-ethoxy-1,3-oxazole-4-carbaldehyde
CID 88707146
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
CID 141426633
1,1-diphenyl-3-propylthiourea
CID 59644427
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
N,N-diethyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689253
N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122934
1-(1,3-oxazol-2-yl)-1-phenylthiourea
CID 174960318

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide?
The IUPAC name of 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide (CID 134870982) is 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide.
What is the SMILES notation for 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide?
The canonical SMILES for 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide is CCOc1ocnc1C(=S)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide?
The InChIKey is FSCYLFNUUUUZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-21-18-16(19-13-22-18)17(23)20(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide?
5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide has a molecular weight of 324.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide is sourced from PubChem (CID 134870982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).