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

C18H16FN3O — CID 57169019

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)cc1
InChIInChI=1S/C18H16FN3O/c19-15-7-5-13(6-8-15)17-11-16(22-23-17)12-1-3-14(4-2-12)18-20-9-10-21-18/h1-8,11,17,22H,9-10H2,(H,20,21)
InChIKeyBKTBJBYQQWCQRG-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.79
Rot. Bonds3

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

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57169019) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID57169019
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)cc1
InChIInChI=1S/C18H16FN3O/c19-15-7-5-13(6-8-15)17-11-16(22-23-17)12-1-3-14(4-2-12)18-20-9-10-21-18/h1-8,11,17,22H,9-10H2,(H,20,21)
InChIKeyBKTBJBYQQWCQRG-UHFFFAOYSA-N
XLogP2.79
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.79
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-[(3,4-difluorophenyl)methyl]-7-phenylmethoxy-6H-1,7-naphthyridin-2-amine
CID 174904215
2-[4-[(2-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82249692
2-[4-[(4-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82249695
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
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-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (CID 57169019) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is Fc1ccc(C2C=C(c3ccc(C4=NCCN4)cc3)NO2)cc1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is BKTBJBYQQWCQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-15-7-5-13(6-8-15)17-11-16(22-23-17)12-1-3-14(4-2-12)18-20-9-10-21-18/h1-8,11,17,22H,9-10H2,(H,20,21).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 309.34 g/mol, XLogP of 2.79, 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-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57169019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).