N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine

C13H24N4O2 — CID 116809225

IUPACN-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(N2CCOCC2)no1
InChIInChI=1S/C13H24N4O2/c1-4-11(10(3)14-5-2)12-15-13(16-19-12)17-6-8-18-9-7-17/h10-11,14H,4-9H2,1-3H3
InChIKeyTYTCBQXAUSJOCR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.40
Rot. Bonds6

About N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine

N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine (PubChem CID 116809225) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
PubChem CID116809225
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(N2CCOCC2)no1
InChIInChI=1S/C13H24N4O2/c1-4-11(10(3)14-5-2)12-15-13(16-19-12)17-6-8-18-9-7-17/h10-11,14H,4-9H2,1-3H3
InChIKeyTYTCBQXAUSJOCR-UHFFFAOYSA-N
XLogP1.40
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116809271
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 116808910
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180
ethyl 3-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 116808604
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107145151
N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65133728
N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040
3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 116809221
4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107473647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine (CID 116809225) is N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine is CCNC(C)C(CC)c1nc(N2CCOCC2)no1.
What is the InChIKey of N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
The InChIKey is TYTCBQXAUSJOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-11(10(3)14-5-2)12-15-13(16-19-12)17-6-8-18-9-7-17/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 116809225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).