5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole

C20H19N3O2 — CID 122372985

IUPAC5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3cnn(-c4ccccc4)c3C)=NO2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-18(13-21-23(14)16-6-4-3-5-7-16)19-12-20(25-22-19)15-8-10-17(24-2)11-9-15/h3-11,13,20H,12H2,1-2H3
InChIKeyLDRGLIXZBUOTRU-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.06
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole

5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 122372985) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
PubChem CID122372985
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3cnn(-c4ccccc4)c3C)=NO2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-18(13-21-23(14)16-6-4-3-5-7-16)19-12-20(25-22-19)15-8-10-17(24-2)11-9-15/h3-11,13,20H,12H2,1-2H3
InChIKeyLDRGLIXZBUOTRU-UHFFFAOYSA-N
XLogP4.06
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 53316962
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
CID 53322240
5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole
CID 10414821
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174394516
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458829
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
2-[4-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]ethynyl-trimethylsilane
CID 71489509
2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 10612032
(E)-3-(4-methoxyphenyl)-1-(5-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 31247775
3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 135445166

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole (CID 122372985) is 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2CC(c3cnn(-c4ccccc4)c3C)=NO2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is LDRGLIXZBUOTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-18(13-21-23(14)16-6-4-3-5-7-16)19-12-20(25-22-19)15-8-10-17(24-2)11-9-15/h3-11,13,20H,12H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 333.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 122372985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).