(4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

C16H13N3O — CID 175922726

IUPAC(4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3nc4ccccc4[nH]3)=N2)cc1
InChIInChI=1S/C16H13N3O/c1-2-6-11(7-3-1)14-10-20-16(19-14)15-17-12-8-4-5-9-13(12)18-15/h1-9,14H,10H2,(H,17,18)/t14-/m1/s1
InChIKeyQDXGUSKGXYRNAZ-CQSZACIVSA-N
MW263.30 g/mol
LogP3.08
Rot. Bonds2

About (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 175922726) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID175922726
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3nc4ccccc4[nH]3)=N2)cc1
InChIInChI=1S/C16H13N3O/c1-2-6-11(7-3-1)14-10-20-16(19-14)15-17-12-8-4-5-9-13(12)18-15/h1-9,14H,10H2,(H,17,18)/t14-/m1/s1
InChIKeyQDXGUSKGXYRNAZ-CQSZACIVSA-N
XLogP3.08
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 72964471
CID 72964471
2-naphthalen-2-yl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14919448
(4R)-2-[4-chloro-6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101488940
(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole
CID 101386692
(4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
CID 170899160
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 164886351
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
CID 100993952
2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]phenol
CID 137086219

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 175922726) is (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(c3nc4ccccc4[nH]3)=N2)cc1.
What is the InChIKey of (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is QDXGUSKGXYRNAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-6-11(7-3-1)14-10-20-16(19-14)15-17-12-8-4-5-9-13(12)18-15/h1-9,14H,10H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 263.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(1H-benzimidazol-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175922726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).