2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide

C17H17FN4O3 — CID 91828804

IUPAC2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2cocn2)Cc2cocn2)cc1F
InChIInChI=1S/C17H17FN4O3/c1-12-2-3-13(4-16(12)18)21-17(23)7-22(5-14-8-24-10-19-14)6-15-9-25-11-20-15/h2-4,8-11H,5-7H2,1H3,(H,21,23)
InChIKeyBPUGAIIQWNYHFD-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.75
Rot. Bonds7

About 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide

2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 91828804) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID91828804
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2cocn2)Cc2cocn2)cc1F
InChIInChI=1S/C17H17FN4O3/c1-12-2-3-13(4-16(12)18)21-17(23)7-22(5-14-8-24-10-19-14)6-15-9-25-11-20-15/h2-4,8-11H,5-7H2,1H3,(H,21,23)
InChIKeyBPUGAIIQWNYHFD-UHFFFAOYSA-N
XLogP2.75
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide (CID 91828804) is 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2cocn2)Cc2cocn2)cc1F.
What is the InChIKey of 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is BPUGAIIQWNYHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-12-2-3-13(4-16(12)18)21-17(23)7-22(5-14-8-24-10-19-14)6-15-9-25-11-20-15/h2-4,8-11H,5-7H2,1H3,(H,21,23).
What are the key properties of 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 344.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1,3-oxazol-4-ylmethyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 91828804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).