N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide

C19H13FN4O2S — CID 67197596

IUPACN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C19H13FN4O2S/c20-14-3-1-13(2-4-14)18-17(15-5-7-21-11-22-15)19(26-24-18)23-16(25)9-12-6-8-27-10-12/h1-8,10-11H,9H2,(H,23,25)
InChIKeyFLKWVRQABDXGEW-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.18
Rot. Bonds5

About N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide

N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide (PubChem CID 67197596) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide
PubChem CID67197596
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C19H13FN4O2S/c20-14-3-1-13(2-4-14)18-17(15-5-7-21-11-22-15)19(26-24-18)23-16(25)9-12-6-8-27-10-12/h1-8,10-11H,9H2,(H,23,25)
InChIKeyFLKWVRQABDXGEW-UHFFFAOYSA-N
XLogP4.18
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide (CID 67197596) is N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide?
The InChIKey is FLKWVRQABDXGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c20-14-3-1-13(2-4-14)18-17(15-5-7-21-11-22-15)19(26-24-18)23-16(25)9-12-6-8-27-10-12/h1-8,10-11H,9H2,(H,23,25).
What are the key properties of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide?
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide has a molecular weight of 380.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 67197596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).