N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

C10H19N3O — CID 60835612

IUPACN-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCCCc1noc(CCNC(C)C)n1
InChIInChI=1S/C10H19N3O/c1-4-5-9-12-10(14-13-9)6-7-11-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyCEQNVFPBDXIIOA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.56
Rot. Bonds6

About N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 60835612) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID60835612
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCCCc1noc(CCNC(C)C)n1
InChIInChI=1S/C10H19N3O/c1-4-5-9-12-10(14-13-9)6-7-11-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyCEQNVFPBDXIIOA-UHFFFAOYSA-N
XLogP1.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116806285
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 18349096
N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631921
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
N-[2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 66053027
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 79077361
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348218
N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 107502081

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 60835612) is N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is CCCc1noc(CCNC(C)C)n1.
What is the InChIKey of N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is CEQNVFPBDXIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-9-12-10(14-13-9)6-7-11-8(2)3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 60835612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).