4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole

C18H19N3O3 — CID 154567758

IUPAC4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole
SMILESCO[C@@H]1CCOC[C@H]1n1ccnc1-c1coc(-c2ccccc2)n1
InChIInChI=1S/C18H19N3O3/c1-22-16-7-10-23-12-15(16)21-9-8-19-17(21)14-11-24-18(20-14)13-5-3-2-4-6-13/h2-6,8-9,11,15-16H,7,10,12H2,1H3/t15-,16-/m1/s1
InChIKeyHSKCGSYELONJKM-HZPDHXFCSA-N
MW325.37 g/mol
LogP3.18
Rot. Bonds4

About 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole

4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole (PubChem CID 154567758) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole
PubChem CID154567758
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole
SMILESCO[C@@H]1CCOC[C@H]1n1ccnc1-c1coc(-c2ccccc2)n1
InChIInChI=1S/C18H19N3O3/c1-22-16-7-10-23-12-15(16)21-9-8-19-17(21)14-11-24-18(20-14)13-5-3-2-4-6-13/h2-6,8-9,11,15-16H,7,10,12H2,1H3/t15-,16-/m1/s1
InChIKeyHSKCGSYELONJKM-HZPDHXFCSA-N
XLogP3.18
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-[1-(3-pyrazol-1-ylpropyl)imidazol-2-yl]-1,3-oxazole
CID 56872855
2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 154823286
1-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
CID 154820229
2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
CID 146042201
2-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]benzoic acid
CID 70758528
2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 155495850
4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole
CID 154823831
2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid
CID 154569273
4-[[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-2-phenyl-1,3-oxazole
CID 74235764
3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-methylpyridin-2-one
CID 170109969
2-(2-phenylimidazol-1-yl)cycloheptan-1-amine
CID 61070661
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole (CID 154567758) is 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole is CO[C@@H]1CCOC[C@H]1n1ccnc1-c1coc(-c2ccccc2)n1.
What is the InChIKey of 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole?
The InChIKey is HSKCGSYELONJKM-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-22-16-7-10-23-12-15(16)21-9-8-19-17(21)14-11-24-18(20-14)13-5-3-2-4-6-13/h2-6,8-9,11,15-16H,7,10,12H2,1H3/t15-,16-/m1/s1.
What are the key properties of 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole?
4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole has a molecular weight of 325.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3R,4R)-4-methoxyoxan-3-yl]imidazol-2-yl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 154567758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).