3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole

C17H17N5O2 — CID 56900869

IUPAC3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESCCCc1cc(Cn2ccnc2-c2ccc(-c3ccn[nH]3)o2)on1
InChIInChI=1S/C17H17N5O2/c1-2-3-12-10-13(24-21-12)11-22-9-8-18-17(22)16-5-4-15(23-16)14-6-7-19-20-14/h4-10H,2-3,11H2,1H3,(H,19,20)
InChIKeyLEMVPSYHJMNSSQ-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.52
Rot. Bonds6

About 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole

3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 56900869) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID56900869
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESCCCc1cc(Cn2ccnc2-c2ccc(-c3ccn[nH]3)o2)on1
InChIInChI=1S/C17H17N5O2/c1-2-3-12-10-13(24-21-12)11-22-9-8-18-17(22)16-5-4-15(23-16)14-6-7-19-20-14/h4-10H,2-3,11H2,1H3,(H,19,20)
InChIKeyLEMVPSYHJMNSSQ-UHFFFAOYSA-N
XLogP3.52
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole (CID 56900869) is 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole is CCCc1cc(Cn2ccnc2-c2ccc(-c3ccn[nH]3)o2)on1.
What is the InChIKey of 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is LEMVPSYHJMNSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-2-3-12-10-13(24-21-12)11-22-9-8-18-17(22)16-5-4-15(23-16)14-6-7-19-20-14/h4-10H,2-3,11H2,1H3,(H,19,20).
What are the key properties of 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole?
3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 323.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-[[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 56900869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).