tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate

C23H28N2O3 — CID 10786034

IUPACtert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
SMILESC[C@H](C1=N[C@H](c2ccccc2)CO1)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H28N2O3/c1-17(21-24-20(16-27-21)19-13-9-6-10-14-19)25(22(26)28-23(2,3)4)15-18-11-7-5-8-12-18/h5-14,17,20H,15-16H2,1-4H3/t17-,20+/m1/s1
InChIKeyPUXCCXBESYDHEV-XLIONFOSSA-N
MW380.49 g/mol
LogP4.98
Rot. Bonds5

About tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate

tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate (PubChem CID 10786034) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
PubChem CID10786034
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nametert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
SMILESC[C@H](C1=N[C@H](c2ccccc2)CO1)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H28N2O3/c1-17(21-24-20(16-27-21)19-13-9-6-10-14-19)25(22(26)28-23(2,3)4)15-18-11-7-5-8-12-18/h5-14,17,20H,15-16H2,1-4H3/t17-,20+/m1/s1
InChIKeyPUXCCXBESYDHEV-XLIONFOSSA-N
XLogP4.98
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-benzyl-N-[(3S)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
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[(2S)-1-hydroxy-4-phenyl-1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butan-2-yl]carbamoyl-(3-methylbutyl)carbamic acid
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tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate
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tert-butyl N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate (CID 10786034) is tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate is C[C@H](C1=N[C@H](c2ccccc2)CO1)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate?
The InChIKey is PUXCCXBESYDHEV-XLIONFOSSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(21-24-20(16-27-21)19-13-9-6-10-14-19)25(22(26)28-23(2,3)4)15-18-11-7-5-8-12-18/h5-14,17,20H,15-16H2,1-4H3/t17-,20+/m1/s1.
What are the key properties of tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate?
tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(1R)-1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 10786034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).