N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide

C16H18FN3O2 — CID 125173596

IUPACN-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1CCNC1)NCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H18FN3O2/c17-13-3-1-12(2-4-13)15-8-14(22-20-15)10-19-16(21)7-11-5-6-18-9-11/h1-4,8,11,18H,5-7,9-10H2,(H,19,21)/t11-/m1/s1
InChIKeyBWVPOPIXVBIGPT-LLVKDONJSA-N
MW303.34 g/mol
LogP2.10
Rot. Bonds5

About N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide

N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide (PubChem CID 125173596) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
PubChem CID125173596
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1CCNC1)NCc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H18FN3O2/c17-13-3-1-12(2-4-13)15-8-14(22-20-15)10-19-16(21)7-11-5-6-18-9-11/h1-4,8,11,18H,5-7,9-10H2,(H,19,21)/t11-/m1/s1
InChIKeyBWVPOPIXVBIGPT-LLVKDONJSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125179473
2-cyclopentyl-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866847
N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171709577
2-cyclopent-2-en-1-yl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 71941652
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154903600
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-[(2R)-morpholin-2-yl]acetamide
CID 125163130
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-morpholin-2-ylacetamide
CID 118763783
N-(6-fluoro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 104954698
N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
CID 104954757

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide (CID 125173596) is N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide is O=C(C[C@H]1CCNC1)NCc1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
The InChIKey is BWVPOPIXVBIGPT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-13-3-1-12(2-4-13)15-8-14(22-20-15)10-19-16(21)7-11-5-6-18-9-11/h1-4,8,11,18H,5-7,9-10H2,(H,19,21)/t11-/m1/s1.
What are the key properties of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide?
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide has a molecular weight of 303.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 125173596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).