4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine

C14H23N5O — CID 65196556

IUPAC4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
SMILESCC(C)C(CCN)CCc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C14H23N5O/c1-10(2)11(6-8-15)4-5-13-16-14(18-20-13)12-7-9-19(3)17-12/h7,9-11H,4-6,8,15H2,1-3H3
InChIKeyTWPAHTBFOMEKLA-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.02
Rot. Bonds7

About 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine

4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine (PubChem CID 65196556) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
PubChem CID65196556
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
SMILESCC(C)C(CCN)CCc1nc(-c2ccn(C)n2)no1
InChIInChI=1S/C14H23N5O/c1-10(2)11(6-8-15)4-5-13-16-14(18-20-13)12-7-9-19(3)17-12/h7,9-11H,4-6,8,15H2,1-3H3
InChIKeyTWPAHTBFOMEKLA-UHFFFAOYSA-N
XLogP2.02
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine (CID 65196556) is 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine is CC(C)C(CCN)CCc1nc(-c2ccn(C)n2)no1.
What is the InChIKey of 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
The InChIKey is TWPAHTBFOMEKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)11(6-8-15)4-5-13-16-14(18-20-13)12-7-9-19(3)17-12/h7,9-11H,4-6,8,15H2,1-3H3.
What are the key properties of 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 65196556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).