N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

C25H24ClN5O3 — CID 55333116

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c2ccccc2c1=O
InChIInChI=1S/C25H24ClN5O3/c1-15(2)13-31-24(32)20-6-4-3-5-19(20)22(29-31)25(33)30(18-11-12-18)14-21-27-28-23(34-21)16-7-9-17(26)10-8-16/h3-10,15,18H,11-14H2,1-2H3
InChIKeyZDGOYCKDQKLTRM-UHFFFAOYSA-N
MW477.95 g/mol
LogP4.56
Rot. Bonds7

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 55333116) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID55333116
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c2ccccc2c1=O
InChIInChI=1S/C25H24ClN5O3/c1-15(2)13-31-24(32)20-6-4-3-5-19(20)22(29-31)25(33)30(18-11-12-18)14-21-27-28-23(34-21)16-7-9-17(26)10-8-16/h3-10,15,18H,11-14H2,1-2H3
InChIKeyZDGOYCKDQKLTRM-UHFFFAOYSA-N
XLogP4.56
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 8699681
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-oxo-3-propylphthalazine-1-carboxylate
CID 41075754
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-4-carboxamide
CID 17400992
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2,4-difluorobenzamide
CID 8699727
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 55770833
1-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55757697
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CID 51147007
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8834974
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 75372969
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(tetrazol-1-yl)benzamide
CID 55333069
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-2-nitrobenzamide
CID 55333135
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CID 17442700

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 55333116) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is CC(C)Cn1nc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c2ccccc2c1=O.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is ZDGOYCKDQKLTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-15(2)13-31-24(32)20-6-4-3-5-19(20)22(29-31)25(33)30(18-11-12-18)14-21-27-28-23(34-21)16-7-9-17(26)10-8-16/h3-10,15,18H,11-14H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55333116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).