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

C14H23N5O — CID 82902395

IUPACN-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(c1nc(-c2cncn2C)no1)C(C)C
InChIInChI=1S/C14H23N5O/c1-6-16-10(4)12(9(2)3)14-17-13(18-20-14)11-7-15-8-19(11)5/h7-10,12,16H,6H2,1-5H3
InChIKeyXBEPSNLREYQBPA-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.21
Rot. Bonds6

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

N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 82902395) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID82902395
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(c1nc(-c2cncn2C)no1)C(C)C
InChIInChI=1S/C14H23N5O/c1-6-16-10(4)12(9(2)3)14-17-13(18-20-14)11-7-15-8-19(11)5/h7-10,12,16H,6H2,1-5H3
InChIKeyXBEPSNLREYQBPA-UHFFFAOYSA-N
XLogP2.21
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 82902395) is N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCNC(C)C(c1nc(-c2cncn2C)no1)C(C)C.
What is the InChIKey of N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is XBEPSNLREYQBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-6-16-10(4)12(9(2)3)14-17-13(18-20-14)11-7-15-8-19(11)5/h7-10,12,16H,6H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 82902395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).