4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole

C25H32N2O — CID 140568126

IUPAC4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)CN1CC(c2ccccc2)CC1C1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C25H32N2O/c1-25(2,3)18-27-16-21(20-12-8-5-9-13-20)15-23(27)24-26-22(17-28-24)14-19-10-6-4-7-11-19/h4-13,21-23H,14-18H2,1-3H3
InChIKeyIKHNENSCUNMXSM-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.93
Rot. Bonds5

About 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole

4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 140568126) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID140568126
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)CN1CC(c2ccccc2)CC1C1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C25H32N2O/c1-25(2,3)18-27-16-21(20-12-8-5-9-13-20)15-23(27)24-26-22(17-28-24)14-19-10-6-4-7-11-19/h4-13,21-23H,14-18H2,1-3H3
InChIKeyIKHNENSCUNMXSM-UHFFFAOYSA-N
XLogP4.93
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
CID 13283581
4-(1-Phenylethyl)-2-[1-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
CID 23499766
4-(1-Phenylethyl)-2-[3-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-dihydro-1,3-oxazole
CID 23499767
(4S)-4-(1-phenylethyl)-2-[2-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 66896933
(4S)-4-(1-phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 66896934
4-(1-Phenylethyl)-2-[2-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 66896935
(4S)-4-(1-phenylethyl)-2-[3-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-dihydro-1,3-oxazole
CID 66897109
2-[1-ethyl-1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 66897110
(4S)-4-(1-phenylethyl)-2-[1-[(4S)-4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
CID 66897389
(4S)-4-(1-phenylethyl)-2-[1-[4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole
CID 66897391
Tert-butyl 2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4-phenylpyrrolidine-1-carboxylate
CID 67175921
(2S,4R)-tert-butyl 2-(4-benzyl-4,5-dihydrooxazol-2-yl)-4-phenylpyrrolidine-1-carboxylate
CID 67175922

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole (CID 140568126) is 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C)CN1CC(c2ccccc2)CC1C1=NC(Cc2ccccc2)CO1.
What is the InChIKey of 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IKHNENSCUNMXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-25(2,3)18-27-16-21(20-12-8-5-9-13-20)15-23(27)24-26-22(17-28-24)14-19-10-6-4-7-11-19/h4-13,21-23H,14-18H2,1-3H3.
What are the key properties of 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole?
4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 376.54 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 140568126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).