5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole

C13H15N5O — CID 175419490

IUPAC5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole
SMILESCCCc1cnc(-c2cn[nH]c2Cc2ccno2)[nH]1
InChIInChI=1S/C13H15N5O/c1-2-3-9-7-14-13(17-9)11-8-15-18-12(11)6-10-4-5-16-19-10/h4-5,7-8H,2-3,6H2,1H3,(H,14,17)(H,15,18)
InChIKeyGRZLDHGQFBRYNW-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.33
Rot. Bonds5

About 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole

5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole (PubChem CID 175419490) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole
PubChem CID175419490
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole
SMILESCCCc1cnc(-c2cn[nH]c2Cc2ccno2)[nH]1
InChIInChI=1S/C13H15N5O/c1-2-3-9-7-14-13(17-9)11-8-15-18-12(11)6-10-4-5-16-19-10/h4-5,7-8H,2-3,6H2,1H3,(H,14,17)(H,15,18)
InChIKeyGRZLDHGQFBRYNW-UHFFFAOYSA-N
XLogP2.33
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-[4-(1H-imidazol-2-ylmethyl)-2-[4-(1H-imidazol-5-ylmethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-methyl-1-[5-methyl-4-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(trifluoromethyl)-3H-pyrazol-2-ium-2-yl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,2-oxazole
CID 91802315
3-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazol-5-yl]propyl]-1,2-oxazole
CID 135136527
methane;2-propan-2-yl-2H-imidazole;4-propan-2-yl-2H-imidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole
CID 160485061

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole (CID 175419490) is 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole is CCCc1cnc(-c2cn[nH]c2Cc2ccno2)[nH]1.
What is the InChIKey of 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole?
The InChIKey is GRZLDHGQFBRYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-3-9-7-14-13(17-9)11-8-15-18-12(11)6-10-4-5-16-19-10/h4-5,7-8H,2-3,6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole?
5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole has a molecular weight of 257.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-propyl-1H-imidazol-2-yl)-1H-pyrazol-5-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 175419490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).