3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole

C20H21N3O — CID 57111562

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-13-3-8-17(14(2)11-13)19-12-18(23-24-19)15-4-6-16(7-5-15)20-21-9-10-22-20/h3-8,11-12,19,23H,9-10H2,1-2H3,(H,21,22)
InChIKeyQBPWFTWMHPYQLH-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.27
Rot. Bonds3

About 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57111562) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole
PubChem CID57111562
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-13-3-8-17(14(2)11-13)19-12-18(23-24-19)15-4-6-16(7-5-15)20-21-9-10-22-20/h3-8,11-12,19,23H,9-10H2,1-2H3,(H,21,22)
InChIKeyQBPWFTWMHPYQLH-UHFFFAOYSA-N
XLogP3.27
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 53775412
5-(2,6-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 54188125
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 54333907
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57062661
N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 57081430
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57169019
7-methyl-8,9a-diphenyl-3-(2,4,6-trimethylphenyl)-5H,6H,7H,9aH-[1,4]diazepino[1,7-d][1,2,4]oxadiazole
CID 14913496
[4-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]methanol
CID 9837893
2-[4-[[4-(butan-2-yloxymethyl)phenyl]methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 21876790
2-[4-(4-Isopropoxymethyl-benzyl)-phenyl]-imidazoline
CID 21876909
4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]aniline
CID 53842396
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole
CID 53899398

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole (CID 57111562) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole is Cc1ccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)c(C)c1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is QBPWFTWMHPYQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-13-3-8-17(14(2)11-13)19-12-18(23-24-19)15-4-6-16(7-5-15)20-21-9-10-22-20/h3-8,11-12,19,23H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole?
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 319.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(2,4-dimethylphenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57111562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).