3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine

C14H26N4O2 — CID 116809221

IUPAC3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(N2CCOCC2)no1)C(C)C
InChIInChI=1S/C14H26N4O2/c1-4-5-15-12(11(2)3)10-13-16-14(17-20-13)18-6-8-19-9-7-18/h11-12,15H,4-10H2,1-3H3
InChIKeyNQJVIMCWWNNSPR-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.47
Rot. Bonds7

About 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine

3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine (PubChem CID 116809221) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
PubChem CID116809221
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(N2CCOCC2)no1)C(C)C
InChIInChI=1S/C14H26N4O2/c1-4-5-15-12(11(2)3)10-13-16-14(17-20-13)18-6-8-19-9-7-18/h11-12,15H,4-10H2,1-3H3
InChIKeyNQJVIMCWWNNSPR-UHFFFAOYSA-N
XLogP1.47
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-N-propyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809104
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methyl-N-propylbutan-2-amine
CID 63347774
3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527504
N-propyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809121
N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809224
N-ethyl-4-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809112
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
N-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 116809245
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 104612019
4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 116808797
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine (CID 116809221) is 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine is CCCNC(Cc1nc(N2CCOCC2)no1)C(C)C.
What is the InChIKey of 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The InChIKey is NQJVIMCWWNNSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-5-15-12(11(2)3)10-13-16-14(17-20-13)18-6-8-19-9-7-18/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 116809221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).