2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide

C18H24N4O2 — CID 71872576

IUPAC2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide
SMILESCc1cnc(CN(C)C2CCN(C(C(N)=O)c3ccccc3)C2)o1
InChIInChI=1S/C18H24N4O2/c1-13-10-20-16(24-13)12-21(2)15-8-9-22(11-15)17(18(19)23)14-6-4-3-5-7-14/h3-7,10,15,17H,8-9,11-12H2,1-2H3,(H2,19,23)
InChIKeyHGOUZYCAZWBYMQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.72
Rot. Bonds6

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

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide (PubChem CID 71872576) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide
PubChem CID71872576
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide
SMILESCc1cnc(CN(C)C2CCN(C(C(N)=O)c3ccccc3)C2)o1
InChIInChI=1S/C18H24N4O2/c1-13-10-20-16(24-13)12-21(2)15-8-9-22(11-15)17(18(19)23)14-6-4-3-5-7-14/h3-7,10,15,17H,8-9,11-12H2,1-2H3,(H2,19,23)
InChIKeyHGOUZYCAZWBYMQ-UHFFFAOYSA-N
XLogP1.72
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide?
The IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide (CID 71872576) is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide?
The canonical SMILES for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide is Cc1cnc(CN(C)C2CCN(C(C(N)=O)c3ccccc3)C2)o1.
What is the InChIKey of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide?
The InChIKey is HGOUZYCAZWBYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-10-20-16(24-13)12-21(2)15-8-9-22(11-15)17(18(19)23)14-6-4-3-5-7-14/h3-7,10,15,17H,8-9,11-12H2,1-2H3,(H2,19,23).
What are the key properties of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide?
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide has a molecular weight of 328.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 71872576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).