2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

C20H23FN4O2S — CID 143320455

IUPAC2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1csc(-c2c(-c3ccc(F)cc3)noc2CN(C)C)n1
InChIInChI=1S/C20H23FN4O2S/c1-12(2)22-17(26)9-15-11-28-20(23-15)18-16(10-25(3)4)27-24-19(18)13-5-7-14(21)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,22,26)
InChIKeyGWACSNZIVAGKHZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.73
Rot. Bonds7

About 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 143320455) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
PubChem CID143320455
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1csc(-c2c(-c3ccc(F)cc3)noc2CN(C)C)n1
InChIInChI=1S/C20H23FN4O2S/c1-12(2)22-17(26)9-15-11-28-20(23-15)18-16(10-25(3)4)27-24-19(18)13-5-7-14(21)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,22,26)
InChIKeyGWACSNZIVAGKHZ-UHFFFAOYSA-N
XLogP3.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (CID 143320455) is 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1csc(-c2c(-c3ccc(F)cc3)noc2CN(C)C)n1.
What is the InChIKey of 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
The InChIKey is GWACSNZIVAGKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-12(2)22-17(26)9-15-11-28-20(23-15)18-16(10-25(3)4)27-24-19(18)13-5-7-14(21)8-6-13/h5-8,11-12H,9-10H2,1-4H3,(H,22,26).
What are the key properties of 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?
2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 402.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 143320455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).