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

C19H19N3O — CID 57159493

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole
SMILESCc1cccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)c1
InChIInChI=1S/C19H19N3O/c1-13-3-2-4-16(11-13)18-12-17(22-23-18)14-5-7-15(8-6-14)19-20-9-10-21-19/h2-8,11-12,18,22H,9-10H2,1H3,(H,20,21)
InChIKeyXDKUXRLKBYGXNF-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.96
Rot. Bonds3

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

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57159493) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole
PubChem CID57159493
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole
SMILESCc1cccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)c1
InChIInChI=1S/C19H19N3O/c1-13-3-2-4-16(11-13)18-12-17(22-23-18)14-5-7-15(8-6-14)19-20-9-10-21-19/h2-8,11-12,18,22H,9-10H2,1H3,(H,20,21)
InChIKeyXDKUXRLKBYGXNF-UHFFFAOYSA-N
XLogP2.96
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.96
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
3-benzyl-4,5-dimethyl-1-phenylmethoxy-1H-imidazole-1,3-diium
CID 20806994
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
5-(4-chlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 53884436
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-(3-methylphenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole (CID 57159493) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole is Cc1cccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)c1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is XDKUXRLKBYGXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-3-2-4-16(11-13)18-12-17(22-23-18)14-5-7-15(8-6-14)19-20-9-10-21-19/h2-8,11-12,18,22H,9-10H2,1H3,(H,20,21).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole?
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-methylphenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 305.38 g/mol, XLogP of 2.96, 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-(3-methylphenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57159493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).