N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide

C22H16FN3OS — CID 139825880

IUPACN-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide
SMILESCC(=S)N(c1ccccc1)c1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H16FN3OS/c1-15(28)26(19-5-3-2-4-6-19)22-20(16-11-13-24-14-12-16)21(25-27-22)17-7-9-18(23)10-8-17/h2-14H,1H3
InChIKeyGHNTZRNTVSOUCU-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.03
Rot. Bonds4

About N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide

N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide (PubChem CID 139825880) has the molecular formula C22H16FN3OS and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide
PubChem CID139825880
Molecular FormulaC22H16FN3OS
Molecular Weight389.46 g/mol
Exact Mass389.10
IUPAC NameN-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide
SMILESCC(=S)N(c1ccccc1)c1onc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H16FN3OS/c1-15(28)26(19-5-3-2-4-6-19)22-20(16-11-13-24-14-12-16)21(25-27-22)17-7-9-18(23)10-8-17/h2-14H,1H3
InChIKeyGHNTZRNTVSOUCU-UHFFFAOYSA-N
XLogP6.03
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.03
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

3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 139825870
N-[3-(4-chloro-3-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
CID 69007371
N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
CID 69009291
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide
CID 67197595
N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 139825921
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide
CID 67196204
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol
CID 174424847
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide
CID 67199795
4-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylquinoline
CID 139651658
N-[4-[2-(benzylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 67196801
4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide
CID 10133916

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide (CID 139825880) is N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide is CC(=S)N(c1ccccc1)c1onc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide?
The InChIKey is GHNTZRNTVSOUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3OS/c1-15(28)26(19-5-3-2-4-6-19)22-20(16-11-13-24-14-12-16)21(25-27-22)17-7-9-18(23)10-8-17/h2-14H,1H3.
What are the key properties of N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide?
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide has a molecular weight of 389.46 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide is sourced from PubChem (CID 139825880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).