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

C19H24FN3O2 — CID 71928357

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(Cc3ccc(F)cc3)C2)o1
InChIInChI=1S/C19H24FN3O2/c1-3-18-10-21-19(25-18)13-23(14(2)24)17-8-9-22(12-17)11-15-4-6-16(20)7-5-15/h4-7,10,17H,3,8-9,11-13H2,1-2H3
InChIKeyDFCNSVQUNNWQDM-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.00
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 71928357) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID71928357
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(Cc3ccc(F)cc3)C2)o1
InChIInChI=1S/C19H24FN3O2/c1-3-18-10-21-19(25-18)13-23(14(2)24)17-8-9-22(12-17)11-15-4-6-16(20)7-5-15/h4-7,10,17H,3,8-9,11-13H2,1-2H3
InChIKeyDFCNSVQUNNWQDM-UHFFFAOYSA-N
XLogP3.00
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide (CID 71928357) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)C2CCN(Cc3ccc(F)cc3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is DFCNSVQUNNWQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-3-18-10-21-19(25-18)13-23(14(2)24)17-8-9-22(12-17)11-15-4-6-16(20)7-5-15/h4-7,10,17H,3,8-9,11-13H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71928357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).