N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine

C16H24N2O2 — CID 65186937

IUPACN-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1oc(C)c(-c2cnc(CCCNC(C)C)o2)c1C
InChIInChI=1S/C16H24N2O2/c1-10(2)17-8-6-7-15-18-9-14(20-15)16-11(3)12(4)19-13(16)5/h9-10,17H,6-8H2,1-5H3
InChIKeySNDCAZJTHMXCRW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.79
Rot. Bonds6

About N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine

N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65186937) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65186937
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1oc(C)c(-c2cnc(CCCNC(C)C)o2)c1C
InChIInChI=1S/C16H24N2O2/c1-10(2)17-8-6-7-15-18-9-14(20-15)16-11(3)12(4)19-13(16)5/h9-10,17H,6-8H2,1-5H3
InChIKeySNDCAZJTHMXCRW-UHFFFAOYSA-N
XLogP3.79
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65186937) is N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine is Cc1oc(C)c(-c2cnc(CCCNC(C)C)o2)c1C.
What is the InChIKey of N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is SNDCAZJTHMXCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)17-8-6-7-15-18-9-14(20-15)16-11(3)12(4)19-13(16)5/h9-10,17H,6-8H2,1-5H3.
What are the key properties of N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine?
N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65186937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).