N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine

C15H22N4O — CID 106962273

IUPACN-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCCCN(c1ccccc1)c1nnc(CNCC)o1
InChIInChI=1S/C15H22N4O/c1-3-5-11-19(13-9-7-6-8-10-13)15-18-17-14(20-15)12-16-4-2/h6-10,16H,3-5,11-12H2,1-2H3
InChIKeySHRQLQGANDGJSU-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.12
Rot. Bonds8

About N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine

N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 106962273) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID106962273
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCCCN(c1ccccc1)c1nnc(CNCC)o1
InChIInChI=1S/C15H22N4O/c1-3-5-11-19(13-9-7-6-8-10-13)15-18-17-14(20-15)12-16-4-2/h6-10,16H,3-5,11-12H2,1-2H3
InChIKeySHRQLQGANDGJSU-UHFFFAOYSA-N
XLogP3.12
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 11690378
5-Methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 379430
N-phenyl-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-amine
CID 145984809
4-[[5-(4-Fluoroanilino)-1,3,4-oxadiazol-2-yl]methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one
CID 56949838
4-[(5-Anilino-1,3,4-oxadiazol-2-yl)methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one
CID 57398249
4-(5-Ethyl-1,3,4-oxadiazol-2-YL)-1-phenylpiperazin-2-one
CID 72890348
5-[3-(dimethylamino)propyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 145983174
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-3-phenylimidazolidin-1-yl)acetamide
CID 49707206
1-(4-Fluorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 100659824
5-(2-fluoroanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 11582024
5-[(2-fluorophenyl)amino]-N-piperidin-4-yl-1,3,4-oxadiazole-2-carboxamide
CID 59464130
5-(2-fluoroanilino)-N-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 59464223

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine (CID 106962273) is N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine is CCCCN(c1ccccc1)c1nnc(CNCC)o1.
What is the InChIKey of N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is SHRQLQGANDGJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-5-11-19(13-9-7-6-8-10-13)15-18-17-14(20-15)12-16-4-2/h6-10,16H,3-5,11-12H2,1-2H3.
What are the key properties of N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine?
N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 274.37 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).