N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide

C23H19FN4O3 — CID 67196190

IUPACN-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(N(C(C)=O)c3ccccc3F)c2-c2ccncn2)cc1C
InChIInChI=1S/C23H19FN4O3/c1-14-12-16(8-9-20(14)30-3)22-21(18-10-11-25-13-26-18)23(31-27-22)28(15(2)29)19-7-5-4-6-17(19)24/h4-13H,1-3H3
InChIKeyZHTOGLSNETUBKJ-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.94
Rot. Bonds5

About N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide

N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67196190) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67196190
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(N(C(C)=O)c3ccccc3F)c2-c2ccncn2)cc1C
InChIInChI=1S/C23H19FN4O3/c1-14-12-16(8-9-20(14)30-3)22-21(18-10-11-25-13-26-18)23(31-27-22)28(15(2)29)19-7-5-4-6-17(19)24/h4-13H,1-3H3
InChIKeyZHTOGLSNETUBKJ-UHFFFAOYSA-N
XLogP4.94
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67196190) is N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2noc(N(C(C)=O)c3ccccc3F)c2-c2ccncn2)cc1C.
What is the InChIKey of N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is ZHTOGLSNETUBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-14-12-16(8-9-20(14)30-3)22-21(18-10-11-25-13-26-18)23(31-27-22)28(15(2)29)19-7-5-4-6-17(19)24/h4-13H,1-3H3.
What are the key properties of N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 418.43 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[3-(4-methoxy-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67196190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).