3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

C18H19N5O2 — CID 154872250

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESC#CCCC1(CCC(=O)Nc2cccc(-c3nnc(CC)o3)c2)N=N1
InChIInChI=1S/C18H19N5O2/c1-3-5-10-18(22-23-18)11-9-15(24)19-14-8-6-7-13(12-14)17-21-20-16(4-2)25-17/h1,6-8,12H,4-5,9-11H2,2H3,(H,19,24)
InChIKeyAJEFGGJYDPKFLE-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.59
Rot. Bonds8

About 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 154872250) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID154872250
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESC#CCCC1(CCC(=O)Nc2cccc(-c3nnc(CC)o3)c2)N=N1
InChIInChI=1S/C18H19N5O2/c1-3-5-10-18(22-23-18)11-9-15(24)19-14-8-6-7-13(12-14)17-21-20-16(4-2)25-17/h1,6-8,12H,4-5,9-11H2,2H3,(H,19,24)
InChIKeyAJEFGGJYDPKFLE-UHFFFAOYSA-N
XLogP3.59
TPSA92.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 166419183
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
CID 168653438
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 166416546
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-oxo-3-(pyridin-3-ylamino)propyl]propanamide
CID 166417757
1-chloro-3-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]propan-2-ol
CID 168638572
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]propanamide
CID 167990514
3-phenyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 1315264
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 167801991
3-(3-but-3-ynyldiazirin-3-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 167908478
5-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-2-oxo-1H-pyridine-3-carboxylic acid
CID 166430204
lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate
CID 58862676

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 154872250) is 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is C#CCCC1(CCC(=O)Nc2cccc(-c3nnc(CC)o3)c2)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is AJEFGGJYDPKFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-5-10-18(22-23-18)11-9-15(24)19-14-8-6-7-13(12-14)17-21-20-16(4-2)25-17/h1,6-8,12H,4-5,9-11H2,2H3,(H,19,24).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 154872250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).