3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole

C22H16N6O3 — CID 140986996

IUPAC3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole
SMILESc1ccc(C2=C(c3ncco3)C(c3ccn[nH]3)(c3ccco3)N(c3ccc[nH]3)O2)nc1
InChIInChI=1S/C22H16N6O3/c1-2-9-23-15(5-1)20-19(21-25-12-14-30-21)22(16-8-11-26-27-16,17-6-4-13-29-17)28(31-20)18-7-3-10-24-18/h1-14,24H,(H,26,27)
InChIKeySNUPJJZJHOMZOL-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.98
Rot. Bonds5

About 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole

3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole (PubChem CID 140986996) has the molecular formula C22H16N6O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole
PubChem CID140986996
Molecular FormulaC22H16N6O3
Molecular Weight412.41 g/mol
Exact Mass412.13
IUPAC Name3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole
SMILESc1ccc(C2=C(c3ncco3)C(c3ccn[nH]3)(c3ccco3)N(c3ccc[nH]3)O2)nc1
InChIInChI=1S/C22H16N6O3/c1-2-9-23-15(5-1)20-19(21-25-12-14-30-21)22(16-8-11-26-27-16,17-6-4-13-29-17)28(31-20)18-7-3-10-24-18/h1-14,24H,(H,26,27)
InChIKeySNUPJJZJHOMZOL-UHFFFAOYSA-N
XLogP3.98
TPSA109.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole with MolForge

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Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 47035426
N-[(S)-1-[5-(trifluoromethyl)-2-pyridyl]-3-pyrrolidinyl]-3-(2-furyl)-5-pyrazolecarboxamide
CID 99874833
1-[2-[[5-[[5-Methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
CID 91171314
3-(furan-2-yl)-N-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
CID 76148963
5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 99874832
(3-(furan-2-yl)-1H-pyrazol-5-yl)(4-(5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl)piperazin-1-yl)methanone
CID 71780477
3-(furan-2-yl)-N-(3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl)-1H-pyrazole-5-carboxamide
CID 76149256
N-((3-(6-ethoxypyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)-3-(furan-2-yl)-1H-pyrazole-5-carboxamide
CID 91819297
2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-4-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3,5-triazine-2,4-diamine
CID 23536654
4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]-2-N-[1,3-oxazol-5-yl(pyrimidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 68931384
2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 69091265
1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one
CID 134248889

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole?
The IUPAC name of 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole (CID 140986996) is 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole is c1ccc(C2=C(c3ncco3)C(c3ccn[nH]3)(c3ccco3)N(c3ccc[nH]3)O2)nc1.
What is the InChIKey of 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole?
The InChIKey is SNUPJJZJHOMZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O3/c1-2-9-23-15(5-1)20-19(21-25-12-14-30-21)22(16-8-11-26-27-16,17-6-4-13-29-17)28(31-20)18-7-3-10-24-18/h1-14,24H,(H,26,27).
What are the key properties of 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole?
3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole has a molecular weight of 412.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-(1H-pyrrol-2-yl)-1,2-oxazole is sourced from PubChem (CID 140986996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).