[3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone

C25H20ClN3O4 — CID 27058201

IUPAC[3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1cccc(C2=NN(C(=O)c3onc(-c4ccccc4Cl)c3C)[C@@H](c3ccco3)C2)c1
InChIInChI=1S/C25H20ClN3O4/c1-15-23(18-9-3-4-10-19(18)26)28-33-24(15)25(30)29-21(22-11-6-12-32-22)14-20(27-29)16-7-5-8-17(13-16)31-2/h3-13,21H,14H2,1-2H3/t21-/m1/s1
InChIKeySRVRVMVRLLGTQF-OAQYLSRUSA-N
MW461.91 g/mol
LogP5.90
Rot. Bonds5

About [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone

[3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 27058201) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID27058201
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC Name[3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1cccc(C2=NN(C(=O)c3onc(-c4ccccc4Cl)c3C)[C@@H](c3ccco3)C2)c1
InChIInChI=1S/C25H20ClN3O4/c1-15-23(18-9-3-4-10-19(18)26)28-33-24(15)25(30)29-21(22-11-6-12-32-22)14-20(27-29)16-7-5-8-17(13-16)31-2/h3-13,21H,14H2,1-2H3/t21-/m1/s1
InChIKeySRVRVMVRLLGTQF-OAQYLSRUSA-N
XLogP5.90
TPSA81.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.91
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone with MolForge

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Related Compounds

(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41209428
(2-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 992022
[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone
CID 7186195
(2-chlorophenyl)-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 72716842
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 7179869
[5-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 75457336
2-(3-chlorophenoxy)-1-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 7818938
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1234328
[(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 7460424
(5-bromofuran-2-yl)-[(3S)-5-(2-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 96533906
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
furan-2-yl-[(3S)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41300687

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 27058201) is [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone is COc1cccc(C2=NN(C(=O)c3onc(-c4ccccc4Cl)c3C)[C@@H](c3ccco3)C2)c1.
What is the InChIKey of [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is SRVRVMVRLLGTQF-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c1-15-23(18-9-3-4-10-19(18)26)28-33-24(15)25(30)29-21(22-11-6-12-32-22)14-20(27-29)16-7-5-8-17(13-16)31-2/h3-13,21H,14H2,1-2H3/t21-/m1/s1.
What are the key properties of [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone?
[3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 461.91 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-4-methyl-1,2-oxazol-5-yl]-[(3R)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 27058201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).