5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide

C32H28N2O3S — CID 171703762

IUPAC5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1COc1ccc(-c2cc(C(=O)Nc3ccccc3SCc3ccccc3C)no2)cc1
InChIInChI=1S/C32H28N2O3S/c1-22-9-3-5-11-25(22)20-36-27-17-15-24(16-18-27)30-19-29(34-37-30)32(35)33-28-13-7-8-14-31(28)38-21-26-12-6-4-10-23(26)2/h3-19H,20-21H2,1-2H3,(H,33,35)
InChIKeyUFRPHQBTLACTCG-UHFFFAOYSA-N
MW520.65 g/mol
LogP8.08
Rot. Bonds9

About 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide

5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 171703762) has the molecular formula C32H28N2O3S and a molecular weight of 520.65 g/mol. Its IUPAC name is 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID171703762
Molecular FormulaC32H28N2O3S
Molecular Weight520.65 g/mol
Exact Mass520.18
IUPAC Name5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1COc1ccc(-c2cc(C(=O)Nc3ccccc3SCc3ccccc3C)no2)cc1
InChIInChI=1S/C32H28N2O3S/c1-22-9-3-5-11-25(22)20-36-27-17-15-24(16-18-27)30-19-29(34-37-30)32(35)33-28-13-7-8-14-31(28)38-21-26-12-6-4-10-23(26)2/h3-19H,20-21H2,1-2H3,(H,33,35)
InChIKeyUFRPHQBTLACTCG-UHFFFAOYSA-N
XLogP8.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylsulfinylphenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide
CID 171692078
N-[2-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 171703768
N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 171703886
5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 155943086
5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 1252354
5-(3,4-dimethylphenyl)-N-(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011665
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90562094
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-[4-[(2-chlorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxamide
CID 166597292
5-(4-ethoxyphenyl)-N-(8-methylquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 51065688
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15988695
N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 171703739
N-(2-ethylphenyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 5308609

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide (CID 171703762) is 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide is Cc1ccccc1COc1ccc(-c2cc(C(=O)Nc3ccccc3SCc3ccccc3C)no2)cc1.
What is the InChIKey of 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UFRPHQBTLACTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O3S/c1-22-9-3-5-11-25(22)20-36-27-17-15-24(16-18-27)30-19-29(34-37-30)32(35)33-28-13-7-8-14-31(28)38-21-26-12-6-4-10-23(26)2/h3-19H,20-21H2,1-2H3,(H,33,35).
What are the key properties of 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide?
5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 520.65 g/mol, XLogP of 8.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171703762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).