N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C22H27N3O5S — CID 66636757

IUPACN-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1
InChIInChI=1S/C22H27N3O5S/c1-4-5-17-6-7-18(31-17)22-24-21(25-30-22)15-8-13(2)20(14(3)9-15)29-12-16(27)10-23-19(28)11-26/h6-9,16,26-27H,4-5,10-12H2,1-3H3,(H,23,28)
InChIKeyQFHYCYXRORRSRK-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.88
Rot. Bonds10

About N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 66636757) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID66636757
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1
InChIInChI=1S/C22H27N3O5S/c1-4-5-17-6-7-18(31-17)22-24-21(25-30-22)15-8-13(2)20(14(3)9-15)29-12-16(27)10-23-19(28)11-26/h6-9,16,26-27H,4-5,10-12H2,1-3H3,(H,23,28)
InChIKeyQFHYCYXRORRSRK-UHFFFAOYSA-N
XLogP2.88
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 66636757) is N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1.
What is the InChIKey of N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is QFHYCYXRORRSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-4-5-17-6-7-18(31-17)22-24-21(25-30-22)15-8-13(2)20(14(3)9-15)29-12-16(27)10-23-19(28)11-26/h6-9,16,26-27H,4-5,10-12H2,1-3H3,(H,23,28).
What are the key properties of N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 445.54 g/mol, XLogP of 2.88, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,6-dimethyl-4-[5-(5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 66636757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).