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

C12H23N3O — CID 63347865

IUPAC4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nc(C(C)C)no1
InChIInChI=1S/C12H23N3O/c1-5-8-13-10(4)6-7-11-14-12(9(2)3)15-16-11/h9-10,13H,5-8H2,1-4H3
InChIKeyHYQSLHZXIDPWAM-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.51
Rot. Bonds7

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

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine (PubChem CID 63347865) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
PubChem CID63347865
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nc(C(C)C)no1
InChIInChI=1S/C12H23N3O/c1-5-8-13-10(4)6-7-11-14-12(9(2)3)15-16-11/h9-10,13H,5-8H2,1-4H3
InChIKeyHYQSLHZXIDPWAM-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116733339
4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348218
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 60720301
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347724
N-propyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809121
3,3-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347721
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 104612022
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63347023
N-propyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 115531438
N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine
CID 62338045
4-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79966386
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65333945

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine (CID 63347865) is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine is CCCNC(C)CCc1nc(C(C)C)no1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
The InChIKey is HYQSLHZXIDPWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-8-13-10(4)6-7-11-14-12(9(2)3)15-16-11/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine?
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63347865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).