4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C20H21N5O — CID 50975243

IUPAC4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)noc2C)cn1
InChIInChI=1S/C20H21N5O/c1-4-25-11-17(10-22-25)20-19(16-8-6-5-7-9-16)21-13-24(20)12-18-14(2)23-26-15(18)3/h5-11,13H,4,12H2,1-3H3
InChIKeyRYDWTHLWQOVKKB-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.09
Rot. Bonds5

About 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 50975243) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID50975243
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)noc2C)cn1
InChIInChI=1S/C20H21N5O/c1-4-25-11-17(10-22-25)20-19(16-8-6-5-7-9-16)21-13-24(20)12-18-14(2)23-26-15(18)3/h5-11,13H,4,12H2,1-3H3
InChIKeyRYDWTHLWQOVKKB-UHFFFAOYSA-N
XLogP4.09
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5,15-Dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole
CID 16117097
3-Methyl-5-[(5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaen-10-yl)methyl]-1,2-oxazole
CID 46882463
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one
CID 57422491
1-benzyl-4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-methyl-1,2,4-triazolidine-3,5-dione
CID 57422482
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-phenethylimidazolidine-2,4-dione
CID 57422489
1-benzyl-4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-ethyl-1,2,4-triazolidine-3,5-dione
CID 57422495
1-benzyl-4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-propyl-1,2,4-triazolidine-3,5-dione
CID 57944911
1-Benzyl-2-butyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione
CID 57944920
4-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(isoxazol-3-ylmethyl)-N-methylpyrimidin-2-amine
CID 46995160
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
CID 56822827
5-{1-[(5-isobutylisoxazol-3-yl)methyl]-1H-1,2,3-triazol-4-yl}pyrimidine
CID 72848233
3,5-Dimethyl-4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 75459841

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 50975243) is 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is CCn1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)noc2C)cn1.
What is the InChIKey of 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is RYDWTHLWQOVKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-4-25-11-17(10-22-25)20-19(16-8-6-5-7-9-16)21-13-24(20)12-18-14(2)23-26-15(18)3/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 347.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 50975243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).