4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline

C18H19N3O2 — CID 25343436

IUPAC4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
SMILESCOc1ccc(N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-5-4-6-14(11-12)18-21-20-17(23-18)13(2)19-15-7-9-16(22-3)10-8-15/h4-11,13,19H,1-3H3/t13-/m0/s1
InChIKeyFNNGEMCRCSMOLZ-ZDUSSCGKSA-N
MW309.37 g/mol
LogP4.23
Rot. Bonds5

About 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline

4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline (PubChem CID 25343436) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
PubChem CID25343436
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
SMILESCOc1ccc(N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-5-4-6-14(11-12)18-21-20-17(23-18)13(2)19-15-7-9-16(22-3)10-8-15/h4-11,13,19H,1-3H3/t13-/m0/s1
InChIKeyFNNGEMCRCSMOLZ-ZDUSSCGKSA-N
XLogP4.23
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 40940269
4-(2-methoxyphenoxy)-N-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 134032596
4-ethoxy-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25357173
N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 32509192
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole
CID 20778406
N-(3-methoxyphenyl)-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8556130
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 18272343
N-[(R)-(3-chlorophenyl)-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 28777194
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319409

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline?
The IUPAC name of 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline (CID 25343436) is 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline?
The canonical SMILES for 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline is COc1ccc(N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1.
What is the InChIKey of 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline?
The InChIKey is FNNGEMCRCSMOLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-5-4-6-14(11-12)18-21-20-17(23-18)13(2)19-15-7-9-16(22-3)10-8-15/h4-11,13,19H,1-3H3/t13-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline?
4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline has a molecular weight of 309.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline is sourced from PubChem (CID 25343436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).