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

C19H13FN4O2S — CID 67197595

IUPACN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide
SMILESCC(=O)N(c1ccsc1)c1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C19H13FN4O2S/c1-12(25)24(15-7-9-27-10-15)19-17(16-6-8-21-11-22-16)18(23-26-19)13-2-4-14(20)5-3-13/h2-11H,1H3
InChIKeyUHRIYZNDWCMHJX-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.68
Rot. Bonds4

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

N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide (PubChem CID 67197595) 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]-N-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide
PubChem CID67197595
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide
SMILESCC(=O)N(c1ccsc1)c1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C19H13FN4O2S/c1-12(25)24(15-7-9-27-10-15)19-17(16-6-8-21-11-22-16)18(23-26-19)13-2-4-14(20)5-3-13/h2-11H,1H3
InChIKeyUHRIYZNDWCMHJX-UHFFFAOYSA-N
XLogP4.68
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
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]-N-thiophen-3-ylacetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide (CID 67197595) is N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide is CC(=O)N(c1ccsc1)c1onc(-c2ccc(F)cc2)c1-c1ccncn1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide?
The InChIKey is UHRIYZNDWCMHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c1-12(25)24(15-7-9-27-10-15)19-17(16-6-8-21-11-22-16)18(23-26-19)13-2-4-14(20)5-3-13/h2-11H,1H3.
What are the key properties of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide?
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide has a molecular weight of 380.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 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]-N-thiophen-3-ylacetamide is sourced from PubChem (CID 67197595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).