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

C18H17N3O — CID 57238844

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccc(C3=NCCN3)cc2)NOC1c1ccccc1
InChIInChI=1S/C18H17N3O/c1-2-4-14(5-3-1)17-12-16(21-22-17)13-6-8-15(9-7-13)18-19-10-11-20-18/h1-9,12,17,21H,10-11H2,(H,19,20)
InChIKeyUXMWPDCNFBWEIT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.65
Rot. Bonds3

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

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole (PubChem CID 57238844) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole
PubChem CID57238844
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccc(C3=NCCN3)cc2)NOC1c1ccccc1
InChIInChI=1S/C18H17N3O/c1-2-4-14(5-3-1)17-12-16(21-22-17)13-6-8-15(9-7-13)18-19-10-11-20-18/h1-9,12,17,21H,10-11H2,(H,19,20)
InChIKeyUXMWPDCNFBWEIT-UHFFFAOYSA-N
XLogP2.65
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 54117074

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole (CID 57238844) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole is C1=C(c2ccc(C3=NCCN3)cc2)NOC1c1ccccc1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole?
The InChIKey is UXMWPDCNFBWEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-4-14(5-3-1)17-12-16(21-22-17)13-6-8-15(9-7-13)18-19-10-11-20-18/h1-9,12,17,21H,10-11H2,(H,19,20).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole?
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-phenyl-2,5-dihydro-1,2-oxazole has a molecular weight of 291.35 g/mol, XLogP of 2.65, 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-phenyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57238844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).