N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

C15H24N4O — CID 66120641

IUPACN-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2cc(CC)nn2CC)o1
InChIInChI=1S/C15H24N4O/c1-4-8-16-9-7-15-17-11-14(20-15)13-10-12(5-2)18-19(13)6-3/h10-11,16H,4-9H2,1-3H3
InChIKeyLLKIRLHSBCFRPI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds8

About N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 66120641) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID66120641
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2cc(CC)nn2CC)o1
InChIInChI=1S/C15H24N4O/c1-4-8-16-9-7-15-17-11-14(20-15)13-10-12(5-2)18-19(13)6-3/h10-11,16H,4-9H2,1-3H3
InChIKeyLLKIRLHSBCFRPI-UHFFFAOYSA-N
XLogP2.66
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 66120641) is N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(-c2cc(CC)nn2CC)o1.
What is the InChIKey of N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is LLKIRLHSBCFRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-8-16-9-7-15-17-11-14(20-15)13-10-12(5-2)18-19(13)6-3/h10-11,16H,4-9H2,1-3H3.
What are the key properties of N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 66120641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).