(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole

C24H23N3O2 — CID 127262963

IUPAC(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(Cc3ccc(CC4=N[C@H](c5ccccc5)CO4)[nH]3)=N2)cc1
InChIInChI=1S/C24H23N3O2/c1-3-7-17(8-4-1)21-15-28-23(26-21)13-19-11-12-20(25-19)14-24-27-22(16-29-24)18-9-5-2-6-10-18/h1-12,21-22,25H,13-16H2/t21-,22-/m0/s1
InChIKeyAKSRLZQJPXIHAH-VXKWHMMOSA-N
MW385.47 g/mol
LogP4.44
Rot. Bonds6

About (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole

(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 127262963) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID127262963
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(Cc3ccc(CC4=N[C@H](c5ccccc5)CO4)[nH]3)=N2)cc1
InChIInChI=1S/C24H23N3O2/c1-3-7-17(8-4-1)21-15-28-23(26-21)13-19-11-12-20(25-19)14-24-27-22(16-29-24)18-9-5-2-6-10-18/h1-12,21-22,25H,13-16H2/t21-,22-/m0/s1
InChIKeyAKSRLZQJPXIHAH-VXKWHMMOSA-N
XLogP4.44
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 11155717
diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
CID 6396282
N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline
CID 129266025
(4R)-4-(4-phenylmethoxyphenyl)-2-[[(4R)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 177495917
4-(4-tert-butylphenyl)-2-[[4-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 138114926
(2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
CID 10934710
1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 160545550
(4S)-4-phenyl-2-[[3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
CID 171317884
(4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
CID 11442483
tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate
CID 166481987
2-(chloromethyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 68922865

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole (CID 127262963) is (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is c1ccc([C@@H]2COC(Cc3ccc(CC4=N[C@H](c5ccccc5)CO4)[nH]3)=N2)cc1.
What is the InChIKey of (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is AKSRLZQJPXIHAH-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-3-7-17(8-4-1)21-15-28-23(26-21)13-19-11-12-20(25-19)14-24-27-22(16-29-24)18-9-5-2-6-10-18/h1-12,21-22,25H,13-16H2/t21-,22-/m0/s1.
What are the key properties of (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 385.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 127262963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).