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

C19H22N4O3S — CID 23648925

IUPACN-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(NC(C)C)cc3)s2)no1
InChIInChI=1S/C19H22N4O3S/c1-11(2)21-14-5-7-15(8-6-14)25-19-20-10-18(27-19)16-9-17(26-23-16)12(3)22-13(4)24/h5-12,21H,1-4H3,(H,22,24)
InChIKeyDYNFWSJCFDICGS-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.61
Rot. Bonds7

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

N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23648925) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23648925
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(NC(C)C)cc3)s2)no1
InChIInChI=1S/C19H22N4O3S/c1-11(2)21-14-5-7-15(8-6-14)25-19-20-10-18(27-19)16-9-17(26-23-16)12(3)22-13(4)24/h5-12,21H,1-4H3,(H,22,24)
InChIKeyDYNFWSJCFDICGS-UHFFFAOYSA-N
XLogP4.61
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23648925) is N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(NC(C)C)cc3)s2)no1.
What is the InChIKey of N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is DYNFWSJCFDICGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11(2)21-14-5-7-15(8-6-14)25-19-20-10-18(27-19)16-9-17(26-23-16)12(3)22-13(4)24/h5-12,21H,1-4H3,(H,22,24).
What are the key properties of N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23648925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).