N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide

C18H17FN4O3 — CID 46275206

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESCc1cc(C)nc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)n1
InChIInChI=1S/C18H17FN4O3/c1-11-7-12(2)21-18(20-11)22-17(24)10-25-9-15-8-16(26-23-15)13-3-5-14(19)6-4-13/h3-8H,9-10H2,1-2H3,(H,20,21,22,24)
InChIKeyTUIQQIIDLXWRCV-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.04
Rot. Bonds6

About N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide

N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide (PubChem CID 46275206) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
PubChem CID46275206
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESCc1cc(C)nc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)n1
InChIInChI=1S/C18H17FN4O3/c1-11-7-12(2)21-18(20-11)22-17(24)10-25-9-15-8-16(26-23-15)13-3-5-14(19)6-4-13/h3-8H,9-10H2,1-2H3,(H,20,21,22,24)
InChIKeyTUIQQIIDLXWRCV-UHFFFAOYSA-N
XLogP3.04
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide (CID 46275206) is N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide is Cc1cc(C)nc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
The InChIKey is TUIQQIIDLXWRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-11-7-12(2)21-18(20-11)22-17(24)10-25-9-15-8-16(26-23-15)13-3-5-14(19)6-4-13/h3-8H,9-10H2,1-2H3,(H,20,21,22,24).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide has a molecular weight of 356.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide is sourced from PubChem (CID 46275206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).