4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole

C16H16N8O — CID 141290797

IUPAC4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole
SMILESC1=CNN(C2=C(c3ccn[nH]3)OC(c3ccc[nH]3)(c3ncc[nH]3)N2)C1
InChIInChI=1S/C16H16N8O/c1-3-12(17-5-1)16(15-18-8-9-19-15)22-14(24-10-2-6-21-24)13(25-16)11-4-7-20-23-11/h1-9,17,21-22H,10H2,(H,18,19)(H,20,23)
InChIKeyDFCITONMKJWYAC-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.94
Rot. Bonds4

About 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole

4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole (PubChem CID 141290797) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole.

Molecular Properties

Compound Name4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole
PubChem CID141290797
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole
SMILESC1=CNN(C2=C(c3ccn[nH]3)OC(c3ccc[nH]3)(c3ncc[nH]3)N2)C1
InChIInChI=1S/C16H16N8O/c1-3-12(17-5-1)16(15-18-8-9-19-15)22-14(24-10-2-6-21-24)13(25-16)11-4-7-20-23-11/h1-9,17,21-22H,10H2,(H,18,19)(H,20,23)
InChIKeyDFCITONMKJWYAC-UHFFFAOYSA-N
XLogP0.94
TPSA109.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole with MolForge

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Related Compounds

3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole
CID 140970775
5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole
CID 141001344
5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole
CID 141157798
5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole
CID 141159995
5-(1H-imidazol-2-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole
CID 50956122
(2S,3S)-N-(1H-imidazol-2-ylmethyl)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 128976520
(2S,3S)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine
CID 137868485

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole?
The IUPAC name of 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole (CID 141290797) is 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole.
What is the SMILES notation for 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole?
The canonical SMILES for 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole is C1=CNN(C2=C(c3ccn[nH]3)OC(c3ccc[nH]3)(c3ncc[nH]3)N2)C1.
What is the InChIKey of 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole?
The InChIKey is DFCITONMKJWYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c1-3-12(17-5-1)16(15-18-8-9-19-15)22-14(24-10-2-6-21-24)13(25-16)11-4-7-20-23-11/h1-9,17,21-22H,10H2,(H,18,19)(H,20,23).
What are the key properties of 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole?
4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole has a molecular weight of 336.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole is sourced from PubChem (CID 141290797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).