N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

C15H22N4O — CID 66120698

IUPACN-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCCn1nc(C)cc1-c1cnc(CCCNC2CC2)o1
InChIInChI=1S/C15H22N4O/c1-3-19-13(9-11(2)18-19)14-10-17-15(20-14)5-4-8-16-12-6-7-12/h9-10,12,16H,3-8H2,1-2H3
InChIKeyUWYQLBNPMNTXSC-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.55
Rot. Bonds7

About N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 66120698) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID66120698
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCCn1nc(C)cc1-c1cnc(CCCNC2CC2)o1
InChIInChI=1S/C15H22N4O/c1-3-19-13(9-11(2)18-19)14-10-17-15(20-14)5-4-8-16-12-6-7-12/h9-10,12,16H,3-8H2,1-2H3
InChIKeyUWYQLBNPMNTXSC-UHFFFAOYSA-N
XLogP2.55
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.55
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-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 66120698) is N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is CCn1nc(C)cc1-c1cnc(CCCNC2CC2)o1.
What is the InChIKey of N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is UWYQLBNPMNTXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-19-13(9-11(2)18-19)14-10-17-15(20-14)5-4-8-16-12-6-7-12/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 274.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 66120698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).