4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C15H24N4O — CID 137001659

IUPAC4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCNC(C)C(c1nc(-c2ccc[nH]2)no1)C(C)C
InChIInChI=1S/C15H24N4O/c1-5-8-16-11(4)13(10(2)3)15-18-14(19-20-15)12-7-6-9-17-12/h6-7,9-11,13,16-17H,5,8H2,1-4H3
InChIKeyZQTWKGDLMLBMIZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.19
Rot. Bonds7

About 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 137001659) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID137001659
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCNC(C)C(c1nc(-c2ccc[nH]2)no1)C(C)C
InChIInChI=1S/C15H24N4O/c1-5-8-16-11(4)13(10(2)3)15-18-14(19-20-15)12-7-6-9-17-12/h6-7,9-11,13,16-17H,5,8H2,1-4H3
InChIKeyZQTWKGDLMLBMIZ-UHFFFAOYSA-N
XLogP3.19
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine
CID 116809085
4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 136984423
4-methyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63350508
3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine
CID 65093849
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348355
N-ethyl-4-methyl-3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350874
N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114878947
1-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 136984384
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 136984474
4-methyl-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 65329235
N-propyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 137001669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 137001659) is 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCNC(C)C(c1nc(-c2ccc[nH]2)no1)C(C)C.
What is the InChIKey of 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is ZQTWKGDLMLBMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-8-16-11(4)13(10(2)3)15-18-14(19-20-15)12-7-6-9-17-12/h6-7,9-11,13,16-17H,5,8H2,1-4H3.
What are the key properties of 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 276.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 137001659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).