1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide

C26H32N4O3 — CID 67267522

IUPAC1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C26H32N4O3/c1-3-22(31)11-5-4-6-12-23(27-24(32)21-16-30(2)17-21)26-29-28-25(33-26)20-14-13-18-9-7-8-10-19(18)15-20/h7-10,13-15,21,23H,3-6,11-12,16-17H2,1-2H3,(H,27,32)/t23-/m0/s1
InChIKeyKAZWODFKVPPEEL-QHCPKHFHSA-N
MW448.57 g/mol
LogP4.54
Rot. Bonds11

About 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide

1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide (PubChem CID 67267522) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide
PubChem CID67267522
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C26H32N4O3/c1-3-22(31)11-5-4-6-12-23(27-24(32)21-16-30(2)17-21)26-29-28-25(33-26)20-14-13-18-9-7-8-10-19(18)15-20/h7-10,13-15,21,23H,3-6,11-12,16-17H2,1-2H3,(H,27,32)/t23-/m0/s1
InChIKeyKAZWODFKVPPEEL-QHCPKHFHSA-N
XLogP4.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide
CID 11670175
N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-5-oxoheptyl]-1-azabicyclo[2.2.2]octane-4-carboxamide
CID 11568824
N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]-2-(1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-yl)acetamide
CID 67267518
1-methyl-N-[(1R)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]azetidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171928322
3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]propanamide;2,2,2-trifluoroacetic acid
CID 171929618
1-methyl-N-[(1S)-7-oxo-1-[5-(2-oxo-1H-quinolin-3-yl)-1,3-oxazol-2-yl]nonyl]azetidine-3-carboxamide
CID 73054597
1-methyl-N-[(1S)-1-[5-[4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]azetidine-3-carboxamide
CID 90071003
dimethyl-[2-methyl-1-[[(1S)-1-(5-naphthalen-2-yl-1,3-oxazol-2-yl)-7-oxononyl]amino]-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate
CID 87331646
1-methyl-N-[(1S)-1-(3-naphthalen-2-yl-1H-1,2,4-triazol-5-yl)-7-oxononyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 171930621
1-methyl-3-[[(1S)-1-[5-(1,6-naphthyridin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]carbamoyl]azetidin-1-ium-1-carboxylic acid
CID 141254991
1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide
CID 118275137
(3S)-1-methyl-N-[(1S)-1-(3-naphthalen-2-yl-1H-1,2,4-triazol-5-yl)-7-oxononyl]pyrrolidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate
CID 87331697

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide (CID 67267522) is 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1nnc(-c2ccc3ccccc3c2)o1.
What is the InChIKey of 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide?
The InChIKey is KAZWODFKVPPEEL-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-3-22(31)11-5-4-6-12-23(27-24(32)21-16-30(2)17-21)26-29-28-25(33-26)20-14-13-18-9-7-8-10-19(18)15-20/h7-10,13-15,21,23H,3-6,11-12,16-17H2,1-2H3,(H,27,32)/t23-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide?
1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide is sourced from PubChem (CID 67267522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).