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

C20H19NO2S — CID 67717874

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone
SMILESCc1sccc1CCc1ccccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C20H19NO2S/c1-13-14(10-11-24-13)6-7-15-4-2-3-5-17(15)19(22)18-12-21-23-20(18)16-8-9-16/h2-5,10-12,16H,6-9H2,1H3
InChIKeyIYUDSPSFPCTOBS-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.94
Rot. Bonds6

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

(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone (PubChem CID 67717874) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone
PubChem CID67717874
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone
SMILESCc1sccc1CCc1ccccc1C(=O)c1cnoc1C1CC1
InChIInChI=1S/C20H19NO2S/c1-13-14(10-11-24-13)6-7-15-4-2-3-5-17(15)19(22)18-12-21-23-20(18)16-8-9-16/h2-5,10-12,16H,6-9H2,1H3
InChIKeyIYUDSPSFPCTOBS-UHFFFAOYSA-N
XLogP4.94
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone (CID 67717874) is (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone is Cc1sccc1CCc1ccccc1C(=O)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone?
The InChIKey is IYUDSPSFPCTOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-13-14(10-11-24-13)6-7-15-4-2-3-5-17(15)19(22)18-12-21-23-20(18)16-8-9-16/h2-5,10-12,16H,6-9H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone has a molecular weight of 337.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-[2-[2-(2-methylthiophen-3-yl)ethyl]phenyl]methanone is sourced from PubChem (CID 67717874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).