N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline

C25H25N3O — CID 101081658

IUPACN,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESCCCc1ccc(-c2ccc(-c3nnc(-c4ccc(N(C)C)cc4)o3)cc2)cc1
InChIInChI=1S/C25H25N3O/c1-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-26-27-25(29-24)22-14-16-23(17-15-22)28(2)3/h6-17H,4-5H2,1-3H3
InChIKeyJRSLDOKVPGROLP-UHFFFAOYSA-N
MW383.50 g/mol
LogP6.09
Rot. Bonds6

About N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline

N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 101081658) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
PubChem CID101081658
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESCCCc1ccc(-c2ccc(-c3nnc(-c4ccc(N(C)C)cc4)o3)cc2)cc1
InChIInChI=1S/C25H25N3O/c1-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-26-27-25(29-24)22-14-16-23(17-15-22)28(2)3/h6-17H,4-5H2,1-3H3
InChIKeyJRSLDOKVPGROLP-UHFFFAOYSA-N
XLogP6.09
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 880165
N,N-dimethyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 671915
Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diethyl-
CID 74301
N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10158364
4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 865618
4-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 628602
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
N,N-Diethyl-2-{4-[2-fluoro-4-(5-isopropyl-[1,3,4]oxadiazol-2-yl)-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 42647272
4-(Dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44142082
4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 46227020
2-[[5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 70681691

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline (CID 101081658) is N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline is CCCc1ccc(-c2ccc(-c3nnc(-c4ccc(N(C)C)cc4)o3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is JRSLDOKVPGROLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-26-27-25(29-24)22-14-16-23(17-15-22)28(2)3/h6-17H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 383.50 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 101081658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).