N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

C20H21N3O4S — CID 23648754

IUPACN-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OCC4CC4)cc3)s2)no1
InChIInChI=1S/C20H21N3O4S/c1-12(22-13(2)24)18-9-17(23-27-18)19-10-21-20(28-19)26-16-7-5-15(6-8-16)25-11-14-3-4-14/h5-10,12,14H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyQNWRAZSVWRCGHU-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.58
Rot. Bonds8

About N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23648754) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23648754
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OCC4CC4)cc3)s2)no1
InChIInChI=1S/C20H21N3O4S/c1-12(22-13(2)24)18-9-17(23-27-18)19-10-21-20(28-19)26-16-7-5-15(6-8-16)25-11-14-3-4-14/h5-10,12,14H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyQNWRAZSVWRCGHU-UHFFFAOYSA-N
XLogP4.58
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.58
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-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23648754) is N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OCC4CC4)cc3)s2)no1.
What is the InChIKey of N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is QNWRAZSVWRCGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-12(22-13(2)24)18-9-17(23-27-18)19-10-21-20(28-19)26-16-7-5-15(6-8-16)25-11-14-3-4-14/h5-10,12,14H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 4.58, 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-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23648754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).