[3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone

C22H19NO3S — CID 155539070

IUPAC[3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cccc(COc3ccc(C4=NCCO4)cc3)c2)s1
InChIInChI=1S/C22H19NO3S/c1-15-5-10-20(27-15)21(24)18-4-2-3-16(13-18)14-26-19-8-6-17(7-9-19)22-23-11-12-25-22/h2-10,13H,11-12,14H2,1H3
InChIKeyHMNFDCHLDMZALB-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.64
Rot. Bonds6

About [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone

[3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone (PubChem CID 155539070) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone
PubChem CID155539070
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name[3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cccc(COc3ccc(C4=NCCO4)cc3)c2)s1
InChIInChI=1S/C22H19NO3S/c1-15-5-10-20(27-15)21(24)18-4-2-3-16(13-18)14-26-19-8-6-17(7-9-19)22-23-11-12-25-22/h2-10,13H,11-12,14H2,1H3
InChIKeyHMNFDCHLDMZALB-UHFFFAOYSA-N
XLogP4.64
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone (CID 155539070) is [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2cccc(COc3ccc(C4=NCCO4)cc3)c2)s1.
What is the InChIKey of [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is HMNFDCHLDMZALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-15-5-10-20(27-15)21(24)18-4-2-3-16(13-18)14-26-19-8-6-17(7-9-19)22-23-11-12-25-22/h2-10,13H,11-12,14H2,1H3.
What are the key properties of [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone?
[3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 377.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]methyl]phenyl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 155539070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).