benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate

C27H24N2O3 — CID 57196602

IUPACbenzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C27H24N2O3/c30-27(31-19-20-11-4-1-5-12-20)29-18-10-17-23(29)26-28-24(21-13-6-2-7-14-21)25(32-26)22-15-8-3-9-16-22/h1-9,11-16,23H,10,17-19H2/t23-/m0/s1
InChIKeyYJORRNKAOFFTGB-QHCPKHFHSA-N
MW424.50 g/mol
LogP6.48
Rot. Bonds5

About benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate

benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 57196602) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID57196602
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Namebenzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C27H24N2O3/c30-27(31-19-20-11-4-1-5-12-20)29-18-10-17-23(29)26-28-24(21-13-6-2-7-14-21)25(32-26)22-15-8-3-9-16-22/h1-9,11-16,23H,10,17-19H2/t23-/m0/s1
InChIKeyYJORRNKAOFFTGB-QHCPKHFHSA-N
XLogP6.48
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193
benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
benzyl (2S)-2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 129126731
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
2-[3-[[(2R)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetate
CID 91936166
2-[3-[[(2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetate
CID 91936165
benzyl (2S)-2-(6-pentyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylate
CID 68573073
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
5-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
CID 125453058
1-[(2R)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95633427
benzyl (2S)-2-(8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 58056741

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate (CID 57196602) is benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is YJORRNKAOFFTGB-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-27(31-19-20-11-4-1-5-12-20)29-18-10-17-23(29)26-28-24(21-13-6-2-7-14-21)25(32-26)22-15-8-3-9-16-22/h1-9,11-16,23H,10,17-19H2/t23-/m0/s1.
What are the key properties of benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate?
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57196602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).