N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide

C18H13F3N2O2S — CID 57367410

IUPACN-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide
SMILESCc1onc(-c2ccccc2)c1N(C=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O2S/c1-12-17(16(22-25-12)13-5-3-2-4-6-13)23(11-24)14-7-9-15(10-8-14)26-18(19,20)21/h2-11H,1H3
InChIKeyVSWQJBDVUNGNED-UHFFFAOYSA-N
MW378.38 g/mol
LogP5.56
Rot. Bonds5

About N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide

N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide (PubChem CID 57367410) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide.

Molecular Properties

Compound NameN-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide
PubChem CID57367410
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide
SMILESCc1onc(-c2ccccc2)c1N(C=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O2S/c1-12-17(16(22-25-12)13-5-3-2-4-6-13)23(11-24)14-7-9-15(10-8-14)26-18(19,20)21/h2-11H,1H3
InChIKeyVSWQJBDVUNGNED-UHFFFAOYSA-N
XLogP5.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide
CID 53432907
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-(diethylamino)phenyl]formamide
CID 53432875
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide
CID 53432877
N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide
CID 53421717
(E)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-enal
CID 22058240
4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
CID 10263127
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide
CID 53432872
2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine
CID 112559038
(E)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-enoic acid
CID 170872194
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide?
The IUPAC name of N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide (CID 57367410) is N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide.
What is the SMILES notation for N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide?
The canonical SMILES for N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide is Cc1onc(-c2ccccc2)c1N(C=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide?
The InChIKey is VSWQJBDVUNGNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-12-17(16(22-25-12)13-5-3-2-4-6-13)23(11-24)14-7-9-15(10-8-14)26-18(19,20)21/h2-11H,1H3.
What are the key properties of N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide?
N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide has a molecular weight of 378.38 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide is sourced from PubChem (CID 57367410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).