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

C21H21N3O2 — CID 54564157

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1cccc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1
InChIInChI=1S/C21H21N3O2/c1-2-12-25-18-5-3-4-17(13-18)20-14-19(24-26-20)15-6-8-16(9-7-15)21-22-10-11-23-21/h3-9,13-14H,2,10-12H2,1H3,(H,22,23)
InChIKeyZSQMAQIPPHUAML-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.15
Rot. Bonds6

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

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole (PubChem CID 54564157) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole
PubChem CID54564157
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole
SMILESCCCOc1cccc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1
InChIInChI=1S/C21H21N3O2/c1-2-12-25-18-5-3-4-17(13-18)20-14-19(24-26-20)15-6-8-16(9-7-15)21-22-10-11-23-21/h3-9,13-14H,2,10-12H2,1H3,(H,22,23)
InChIKeyZSQMAQIPPHUAML-UHFFFAOYSA-N
XLogP4.15
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 11990715
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
CID 11957211
3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 16658984
3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 16659118
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide
CID 2103554
N-cyclopentyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3242382
3-ethoxy-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 16013507
5-(3-methoxyphenyl)-N-(2-phenylethyl)isoxazole-3-carboxamide
CID 3243612
N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686577
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135697600
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
CID 89615595

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole (CID 54564157) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole is CCCOc1cccc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole?
The InChIKey is ZSQMAQIPPHUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-12-25-18-5-3-4-17(13-18)20-14-19(24-26-20)15-6-8-16(9-7-15)21-22-10-11-23-21/h3-9,13-14H,2,10-12H2,1H3,(H,22,23).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole?
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole has a molecular weight of 347.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-propoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 54564157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).