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

C18H26N4O3 — CID 71872505

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(Cc3c(C)noc3C)C2)o1
InChIInChI=1S/C18H26N4O3/c1-5-16-8-19-18(24-16)11-22(14(4)23)15-6-7-21(9-15)10-17-12(2)20-25-13(17)3/h8,15H,5-7,9-11H2,1-4H3
InChIKeyRBVPDXPATAPZLA-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.46
Rot. Bonds6

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

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71872505) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71872505
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(Cc3c(C)noc3C)C2)o1
InChIInChI=1S/C18H26N4O3/c1-5-16-8-19-18(24-16)11-22(14(4)23)15-6-7-21(9-15)10-17-12(2)20-25-13(17)3/h8,15H,5-7,9-11H2,1-4H3
InChIKeyRBVPDXPATAPZLA-UHFFFAOYSA-N
XLogP2.46
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide (CID 71872505) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide is CCc1cnc(CN(C(C)=O)C2CCN(Cc3c(C)noc3C)C2)o1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is RBVPDXPATAPZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-5-16-8-19-18(24-16)11-22(14(4)23)15-6-7-21(9-15)10-17-12(2)20-25-13(17)3/h8,15H,5-7,9-11H2,1-4H3.
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71872505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).