2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide

C16H18FN3O2 — CID 119512816

IUPAC2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)NCC1CCCN1
InChIInChI=1S/C16H18FN3O2/c17-12-5-3-11(4-6-12)16-20-14(10-22-16)8-15(21)19-9-13-2-1-7-18-13/h3-6,10,13,18H,1-2,7-9H2,(H,19,21)
InChIKeyIUQRZQZOFJGBGV-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 119512816) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID119512816
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)NCC1CCCN1
InChIInChI=1S/C16H18FN3O2/c17-12-5-3-11(4-6-12)16-20-14(10-22-16)8-15(21)19-9-13-2-1-7-18-13/h3-6,10,13,18H,1-2,7-9H2,(H,19,21)
InChIKeyIUQRZQZOFJGBGV-UHFFFAOYSA-N
XLogP1.89
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119557739
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119477271
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119603433
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460664
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119998364
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(oxan-2-ylmethylsulfonyl)acetamide
CID 102557126
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552872
2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 68506647

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide (CID 119512816) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(Cc1coc(-c2ccc(F)cc2)n1)NCC1CCCN1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is IUQRZQZOFJGBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-12-5-3-11(4-6-12)16-20-14(10-22-16)8-15(21)19-9-13-2-1-7-18-13/h3-6,10,13,18H,1-2,7-9H2,(H,19,21).
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide?
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 303.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 119512816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).