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

C18H23FN4O2 — CID 71872573

IUPAC2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide
SMILESCc1cnc(CN(C)C2CCN(C(C(N)=O)c3ccc(F)cc3)C2)o1
InChIInChI=1S/C18H23FN4O2/c1-12-9-21-16(25-12)11-22(2)15-7-8-23(10-15)17(18(20)24)13-3-5-14(19)6-4-13/h3-6,9,15,17H,7-8,10-11H2,1-2H3,(H2,20,24)
InChIKeyLEGOSYZJYYOMHF-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.85
Rot. Bonds6

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

2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide (PubChem CID 71872573) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide
PubChem CID71872573
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide
SMILESCc1cnc(CN(C)C2CCN(C(C(N)=O)c3ccc(F)cc3)C2)o1
InChIInChI=1S/C18H23FN4O2/c1-12-9-21-16(25-12)11-22(2)15-7-8-23(10-15)17(18(20)24)13-3-5-14(19)6-4-13/h3-6,9,15,17H,7-8,10-11H2,1-2H3,(H2,20,24)
InChIKeyLEGOSYZJYYOMHF-UHFFFAOYSA-N
XLogP1.85
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide (CID 71872573) is 2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide is Cc1cnc(CN(C)C2CCN(C(C(N)=O)c3ccc(F)cc3)C2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide?
The InChIKey is LEGOSYZJYYOMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12-9-21-16(25-12)11-22(2)15-7-8-23(10-15)17(18(20)24)13-3-5-14(19)6-4-13/h3-6,9,15,17H,7-8,10-11H2,1-2H3,(H2,20,24).
What are the key properties of 2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide?
2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 71872573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).