1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol

C38H28N2O4 — CID 142606504

IUPAC1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol
SMILESOc1c(C2=N[C@H](c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=N[C@@H](c3ccccc3)CO2)cc2ccccc12
InChIInChI=1S/C38H28N2O4/c41-35-29(37-39-31(21-43-37)23-11-3-1-4-12-23)19-25-15-7-9-17-27(25)33(35)34-28-18-10-8-16-26(28)20-30(36(34)42)38-40-32(22-44-38)24-13-5-2-6-14-24/h1-20,31-32,41-42H,21-22H2/t31-,32+
InChIKeyPSBIFSCSMDIPPU-MEKGRNQZSA-N
MW576.65 g/mol
LogP8.11
Rot. Bonds5

About 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol

1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol (PubChem CID 142606504) has the molecular formula C38H28N2O4 and a molecular weight of 576.65 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol
PubChem CID142606504
Molecular FormulaC38H28N2O4
Molecular Weight576.65 g/mol
Exact Mass576.20
IUPAC Name1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol
SMILESOc1c(C2=N[C@H](c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=N[C@@H](c3ccccc3)CO2)cc2ccccc12
InChIInChI=1S/C38H28N2O4/c41-35-29(37-39-31(21-43-37)23-11-3-1-4-12-23)19-25-15-7-9-17-27(25)33(35)34-28-18-10-8-16-26(28)20-30(36(34)42)38-40-32(22-44-38)24-13-5-2-6-14-24/h1-20,31-32,41-42H,21-22H2/t31-,32+
InChIKeyPSBIFSCSMDIPPU-MEKGRNQZSA-N
XLogP8.11
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.65
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol with MolForge

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Related Compounds

(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
CID 170898983
(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
diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
CID 170897364
(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
bis(3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-1-[3-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol);(1R)-1-[(1R)-3-cyclopentyl-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-methyl-3-(3-methylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;pentakis(1-[2-hydroxy-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]-3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)naphthalen-2-ol);bis(propylcyclohexane)
CID 157081416
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
2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]phenol
CID 137086219
1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]cyclohexan-1-ol
CID 139724947
(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 166067950
CID 72964471
CID 72964471
diphenyl-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane;palladium
CID 134992415

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol (CID 142606504) is 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol is Oc1c(C2=N[C@H](c3ccccc3)CO2)cc2ccccc2c1-c1c(O)c(C2=N[C@@H](c3ccccc3)CO2)cc2ccccc12.
What is the InChIKey of 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol?
The InChIKey is PSBIFSCSMDIPPU-MEKGRNQZSA-N. The full InChI is InChI=1S/C38H28N2O4/c41-35-29(37-39-31(21-43-37)23-11-3-1-4-12-23)19-25-15-7-9-17-27(25)33(35)34-28-18-10-8-16-26(28)20-30(36(34)42)38-40-32(22-44-38)24-13-5-2-6-14-24/h1-20,31-32,41-42H,21-22H2/t31-,32+.
What are the key properties of 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol?
1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol has a molecular weight of 576.65 g/mol, XLogP of 8.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-3-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-ol is sourced from PubChem (CID 142606504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).