N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C16H25N5O2 — CID 72854206

IUPACN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCCc1nnc(CN(CC)C(=O)C(C)n2ccnc2C(C)C)o1
InChIInChI=1S/C16H25N5O2/c1-6-13-18-19-14(23-13)10-20(7-2)16(22)12(5)21-9-8-17-15(21)11(3)4/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyQJLGIAFSDPRGMT-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.56
Rot. Bonds7

About N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 72854206) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID72854206
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCCc1nnc(CN(CC)C(=O)C(C)n2ccnc2C(C)C)o1
InChIInChI=1S/C16H25N5O2/c1-6-13-18-19-14(23-13)10-20(7-2)16(22)12(5)21-9-8-17-15(21)11(3)4/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyQJLGIAFSDPRGMT-UHFFFAOYSA-N
XLogP2.56
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 72854206) is N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is CCc1nnc(CN(CC)C(=O)C(C)n2ccnc2C(C)C)o1.
What is the InChIKey of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is QJLGIAFSDPRGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-6-13-18-19-14(23-13)10-20(7-2)16(22)12(5)21-9-8-17-15(21)11(3)4/h8-9,11-12H,6-7,10H2,1-5H3.
What are the key properties of N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 319.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 72854206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).