[(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone

C37H34N4O4 — CID 99727422

IUPAC[(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCC1(C)N(C(=O)[C@@H]2CC(c3ccccc3)=NO2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C(=O)[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C37H34N4O4/c1-37(2)40(35(42)31-23-29(38-44-31)25-15-7-3-8-16-25)33(27-19-11-5-12-20-27)34(28-21-13-6-14-22-28)41(37)36(43)32-24-30(39-45-32)26-17-9-4-10-18-26/h3-22,31-34H,23-24H2,1-2H3/t31-,32+,33-,34-/m1/s1
InChIKeyXPWWDQPZXOGSGQ-KMKAFXEASA-N
MW598.70 g/mol
LogP6.26
Rot. Bonds6

About [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone

[(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 99727422) has the molecular formula C37H34N4O4 and a molecular weight of 598.70 g/mol. Its IUPAC name is [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID99727422
Molecular FormulaC37H34N4O4
Molecular Weight598.70 g/mol
Exact Mass598.26
IUPAC Name[(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCC1(C)N(C(=O)[C@@H]2CC(c3ccccc3)=NO2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C(=O)[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C37H34N4O4/c1-37(2)40(35(42)31-23-29(38-44-31)25-15-7-3-8-16-25)33(27-19-11-5-12-20-27)34(28-21-13-6-14-22-28)41(37)36(43)32-24-30(39-45-32)26-17-9-4-10-18-26/h3-22,31-34H,23-24H2,1-2H3/t31-,32+,33-,34-/m1/s1
InChIKeyXPWWDQPZXOGSGQ-KMKAFXEASA-N
XLogP6.26
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.70
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 99727422) is [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone is CC1(C)N(C(=O)[C@@H]2CC(c3ccccc3)=NO2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C(=O)[C@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is XPWWDQPZXOGSGQ-KMKAFXEASA-N. The full InChI is InChI=1S/C37H34N4O4/c1-37(2)40(35(42)31-23-29(38-44-31)25-15-7-3-8-16-25)33(27-19-11-5-12-20-27)34(28-21-13-6-14-22-28)41(37)36(43)32-24-30(39-45-32)26-17-9-4-10-18-26/h3-22,31-34H,23-24H2,1-2H3/t31-,32+,33-,34-/m1/s1.
What are the key properties of [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
[(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 598.70 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-2,2-dimethyl-4,5-diphenyl-3-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]imidazolidin-1-yl]-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 99727422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).