N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 175377554

IUPACN-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCCCCNc1nnc(-c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C14H20N4O/c1-4-5-10-15-14-17-16-13(19-14)11-6-8-12(9-7-11)18(2)3/h6-9H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyFXXUQXWUVYIMMU-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.01
Rot. Bonds6

About N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine

N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 175377554) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID175377554
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCCCCNc1nnc(-c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C14H20N4O/c1-4-5-10-15-14-17-16-13(19-14)11-6-8-12(9-7-11)18(2)3/h6-9H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyFXXUQXWUVYIMMU-UHFFFAOYSA-N
XLogP3.01
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[5-[4-(4-propylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101081658
4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101044631
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
5-(3-fluorophenyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 69190721
N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
CID 106562661
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
CID 3692244
N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 865622
5-[4-(dimethylamino)phenyl]-N-(4-methyl-1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 167666744
4-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]buta-1,3-diynyl]-N,N-dimethylaniline
CID 102175610
tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane
CID 86095429
4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102504984

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine (CID 175377554) is N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine is CCCCNc1nnc(-c2ccc(N(C)C)cc2)o1.
What is the InChIKey of N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FXXUQXWUVYIMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-5-10-15-14-17-16-13(19-14)11-6-8-12(9-7-11)18(2)3/h6-9H,4-5,10H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine?
N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 175377554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).