N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

C14H23N5O — CID 103887697

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2cn(C)nc2C(C)(C)C)no1
InChIInChI=1S/C14H23N5O/c1-10-16-12(18-20-10)6-7-15-8-11-9-19(5)17-13(11)14(2,3)4/h9,15H,6-8H2,1-5H3
InChIKeyFPCVFFHQSHBNDU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.74
Rot. Bonds5

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 103887697) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID103887697
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2cn(C)nc2C(C)(C)C)no1
InChIInChI=1S/C14H23N5O/c1-10-16-12(18-20-10)6-7-15-8-11-9-19(5)17-13(11)14(2,3)4/h9,15H,6-8H2,1-5H3
InChIKeyFPCVFFHQSHBNDU-UHFFFAOYSA-N
XLogP1.74
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 103887697) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is Cc1nc(CCNCc2cn(C)nc2C(C)(C)C)no1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is FPCVFFHQSHBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-16-12(18-20-10)6-7-15-8-11-9-19(5)17-13(11)14(2,3)4/h9,15H,6-8H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 103887697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).