cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone

C22H21NO2S — CID 57204568

IUPACcyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone
SMILESCSc1cccc(Cc2ccccc2-c2oncc2C(=O)C2CC2)c1C
InChIInChI=1S/C22H21NO2S/c1-14-16(7-5-9-20(14)26-2)12-17-6-3-4-8-18(17)22-19(13-23-25-22)21(24)15-10-11-15/h3-9,13,15H,10-12H2,1-2H3
InChIKeyFZYUWOGDTMISRP-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.56
Rot. Bonds6

About cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone

cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone (PubChem CID 57204568) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone
PubChem CID57204568
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Namecyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone
SMILESCSc1cccc(Cc2ccccc2-c2oncc2C(=O)C2CC2)c1C
InChIInChI=1S/C22H21NO2S/c1-14-16(7-5-9-20(14)26-2)12-17-6-3-4-8-18(17)22-19(13-23-25-22)21(24)15-10-11-15/h3-9,13,15H,10-12H2,1-2H3
InChIKeyFZYUWOGDTMISRP-UHFFFAOYSA-N
XLogP5.56
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54389085
cyclopropyl-(2-methylsulfanylphenyl)methanone
CID 24724093
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-methylsulfanyl-2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54226370
(5-tert-butyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
CID 67718052
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(2-fluoro-6-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54564436
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 58063079
4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile
CID 54205927
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide
CID 59170259
(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methyl-3-methylsulfanylphenyl)methanone
CID 18977973
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone?
The IUPAC name of cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone (CID 57204568) is cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone?
The canonical SMILES for cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone is CSc1cccc(Cc2ccccc2-c2oncc2C(=O)C2CC2)c1C.
What is the InChIKey of cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone?
The InChIKey is FZYUWOGDTMISRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-14-16(7-5-9-20(14)26-2)12-17-6-3-4-8-18(17)22-19(13-23-25-22)21(24)15-10-11-15/h3-9,13,15H,10-12H2,1-2H3.
What are the key properties of cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone?
cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone has a molecular weight of 363.48 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[2-[(2-methyl-3-methylsulfanylphenyl)methyl]phenyl]-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 57204568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).