N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide

C20H23N3O4S — CID 23648578

IUPACN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)no1
InChIInChI=1S/C20H23N3O4S/c1-5-19(24)22-13(4)17-10-16(23-27-17)18-11-21-20(28-18)26-15-8-6-14(7-9-15)25-12(2)3/h6-13H,5H2,1-4H3,(H,22,24)
InChIKeyLAXDCIHBEPPLIG-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.96
Rot. Bonds8

About N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide

N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide (PubChem CID 23648578) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide
PubChem CID23648578
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)no1
InChIInChI=1S/C20H23N3O4S/c1-5-19(24)22-13(4)17-10-16(23-27-17)18-11-21-20(28-18)26-15-8-6-14(7-9-15)25-12(2)3/h6-13H,5H2,1-4H3,(H,22,24)
InChIKeyLAXDCIHBEPPLIG-UHFFFAOYSA-N
XLogP4.96
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide?
The IUPAC name of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide (CID 23648578) is N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide.
What is the SMILES notation for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide?
The canonical SMILES for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide is CCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)no1.
What is the InChIKey of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide?
The InChIKey is LAXDCIHBEPPLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-5-19(24)22-13(4)17-10-16(23-27-17)18-11-21-20(28-18)26-15-8-6-14(7-9-15)25-12(2)3/h6-13H,5H2,1-4H3,(H,22,24).
What are the key properties of N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide?
N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide has a molecular weight of 401.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]propanamide is sourced from PubChem (CID 23648578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).