N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C18H19N5O3 — CID 77080498

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCCc2nc(C3CC3)no2)c(=O)c2ccccc12
InChIInChI=1S/C18H19N5O3/c1-11-13-4-2-3-5-14(13)18(25)23(21-11)10-15(24)19-9-8-16-20-17(22-26-16)12-6-7-12/h2-5,12H,6-10H2,1H3,(H,19,24)
InChIKeyBEMSMOLCXSSPGH-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.32
Rot. Bonds6

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 77080498) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID77080498
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCCc2nc(C3CC3)no2)c(=O)c2ccccc12
InChIInChI=1S/C18H19N5O3/c1-11-13-4-2-3-5-14(13)18(25)23(21-11)10-15(24)19-9-8-16-20-17(22-26-16)12-6-7-12/h2-5,12H,6-10H2,1H3,(H,19,24)
InChIKeyBEMSMOLCXSSPGH-UHFFFAOYSA-N
XLogP1.32
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide with MolForge

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Related Compounds

N-Cyclopropyl-6-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-3-carboxamide
CID 44580359
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 25093471
2-fluoro-N-{3-[[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino]-3-oxopropyl}benzamide
CID 46996325
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(4-piperidinylmethyl)benzamide
CID 56910106
2-fluoro-N-{3-[[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino]-3-oxopropyl}benzamide
CID 70767817
5-[(1-oxophthalazin-2(1H)-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72843274
2-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]phthalazin-1(2H)-one
CID 72875076
N-methyl-3-[(1-oxophthalazin-2(1H)-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 72935070
N-methyl-5-[(1-oxophthalazin-2(1H)-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72937252
2-[[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylphthalazin-1-one
CID 155530576
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 91907181
N-Cyclopropyl-3-[5-[(propylamino)methyl]-1,2,4-oxadiazol-3-yl]-benzamide hydrochloride (1:1)
CID 46736914

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 77080498) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)NCCc2nc(C3CC3)no2)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is BEMSMOLCXSSPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11-13-4-2-3-5-14(13)18(25)23(21-11)10-15(24)19-9-8-16-20-17(22-26-16)12-6-7-12/h2-5,12H,6-10H2,1H3,(H,19,24).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 77080498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).