(1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole

C16H14N2O — CID 10922948

IUPAC(1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole
SMILESC[C@@H]1O[C@H](c2ccccc2)n2c1nc1ccccc12
InChIInChI=1S/C16H14N2O/c1-11-15-17-13-9-5-6-10-14(13)18(15)16(19-11)12-7-3-2-4-8-12/h2-11,16H,1H3/t11-,16+/m0/s1
InChIKeyZDWOGMUBLBPDCD-MEDUHNTESA-N
MW250.30 g/mol
LogP3.67
Rot. Bonds1

About (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole

(1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole (PubChem CID 10922948) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole.

Molecular Properties

Compound Name(1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole
PubChem CID10922948
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole
SMILESC[C@@H]1O[C@H](c2ccccc2)n2c1nc1ccccc12
InChIInChI=1S/C16H14N2O/c1-11-15-17-13-9-5-6-10-14(13)18(15)16(19-11)12-7-3-2-4-8-12/h2-11,16H,1H3/t11-,16+/m0/s1
InChIKeyZDWOGMUBLBPDCD-MEDUHNTESA-N
XLogP3.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole?
The IUPAC name of (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole (CID 10922948) is (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole.
What is the SMILES notation for (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole?
The canonical SMILES for (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole is C[C@@H]1O[C@H](c2ccccc2)n2c1nc1ccccc12.
What is the InChIKey of (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole?
The InChIKey is ZDWOGMUBLBPDCD-MEDUHNTESA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-15-17-13-9-5-6-10-14(13)18(15)16(19-11)12-7-3-2-4-8-12/h2-11,16H,1H3/t11-,16+/m0/s1.
What are the key properties of (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole?
(1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole has a molecular weight of 250.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-methyl-1-phenyl-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole is sourced from PubChem (CID 10922948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).