N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine

C15H30N4O — CID 116809085

IUPACN,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCCCNC(C)C(c1nc(N(CC)CC)no1)C(C)C
InChIInChI=1S/C15H30N4O/c1-7-10-16-12(6)13(11(4)5)14-17-15(18-20-14)19(8-2)9-3/h11-13,16H,7-10H2,1-6H3
InChIKeyWQDSEEVQWWBWMM-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.04
Rot. Bonds9

About N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine

N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 116809085) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine
PubChem CID116809085
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCCCNC(C)C(c1nc(N(CC)CC)no1)C(C)C
InChIInChI=1S/C15H30N4O/c1-7-10-16-12(6)13(11(4)5)14-17-15(18-20-14)19(8-2)9-3/h11-13,16H,7-10H2,1-6H3
InChIKeyWQDSEEVQWWBWMM-UHFFFAOYSA-N
XLogP3.04
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine (CID 116809085) is N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine is CCCNC(C)C(c1nc(N(CC)CC)no1)C(C)C.
What is the InChIKey of N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is WQDSEEVQWWBWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-7-10-16-12(6)13(11(4)5)14-17-15(18-20-14)19(8-2)9-3/h11-13,16H,7-10H2,1-6H3.
What are the key properties of N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine?
N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 282.43 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116809085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).